![C13H13NO5 1H-Pyrano [3,4-f] indolizine-3,6,10 (4H) -trione, 4-Ethyl-7,8-dihydro-4- hydroxy-, (4S) - (9CI, ACI) H319, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C13H13NO5 1H-Pyrano [3,4-f] indolizine-3,6,10 (4H) -trione, 4-Ethyl-7,8-dihydro-4- hydroxy-, (4S) - (9CI, ACI) H319, H302 Ishusho Yerekanwe](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13NO5 1H-Pyrano [3,4-f] indolizine-3,6,10 (4H) -trione, 4-Ethyl-7,8-dihydro-4- hydroxy-, (4S) - (9CI, ACI) H319, H302
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 263.25 | - |
| Ingingo yo gushonga (Ubushakashatsi) | 177.1-178.3 ° C. | - |
| Ingingo yo guteka (Biteganijwe) | 666.6 ± 55.0 ° C. | Kanda: 760 Torr |
| Ubucucike (Biteganijwe) | 1.50 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr |
| pKa (Byahanuwe) | 11.20 ± 0.20 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical O = C1C2 = C (C = C3C (= O) CCN13) C (O) (C (= O) OC2) CC
SMILES Isomeric C (C) [C @] 1 (O) C2 = C (C (= O) N3C (= C2) C (= O) CC3) COC1 = O
InChI
InChI = 1S / C13H13NO5 / c1-2-13 (18) 8-5-9-10 (15) 3-4-14 (9) 11 (16) 7 (8) 6-19-12 (13) 17 / h5,18H, 2-4,6H2,1H3 / t13- / m0 / s1
InChI Urufunguzo
IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
5 Andi mazina kuriyi ngingo
(4S) -4-Ethyl-7,8-dihydro-4-hydroxy-1H-pirano 1H-Pyrano [3,4-f] indolizine-3,6,10 (4H) -trione, 4- ethyl-7,8-dihydro-4-hydroxy-, (S) - (ZCI); (4S) -4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano [3,4-f] indolizine-3,6,10 (4H) trione; (4S) -4-Ethyl-4-
hydroxy-7,8-dihydro-1H-pyrano [3,4-f] indolizine-3,6,10-trione; (S) -4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano [3,4-f] indolizine-3,6,10 (4H) -trione
| Ibyiza birahari |
| Ibyiza kandi Bitatanye |
| Ubushyuhe |
Ibyiza kandi Bitatanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Imbaraga Zizunguruka | +120.6 deg | c: 0,62 g / 100mL; Umuti: Chloroform | (1) IC |
| Imbaraga Zizunguruka | +120.57 deg | c: 0,62 g / 100mL; Umuti: Chloroform; Ubushyuhe: 20 ° C. | (2) IC |
| Imbaraga Zizunguruka | +119.57 deg | c: 1.0 g / 100mL; Umuti: Chloroform; λ: 589.3 nm; Ubushyuhe: 25 ° C. | (3) URUBANZA |
| Imbaraga Zizunguruka | Impamyabumenyi +119.57 · mL / g · dm | c: 1.0 g / 100mL; Umuti: Chloroform; λ: Sodium D umurongo; Ubushyuhe: 25 ° C. | (4) URUBANZA |
| Imbaraga Zizunguruka | +117.6 deg | c: 0.56 g / 100mL; Umuti: Chloroform; Ubushyuhe: 23 ° C. | (5) IC |
| Imbaraga Zizunguruka | Impamyabumenyi +116.14 · mL / g · dm | c: 1.0 g / 100mL; Umuti: Chloroform; λ: Sodium D umurongo; Ubushyuhe: 26 ° C. | (4) URUBANZA |
| Imbaraga Zizunguruka | +96 deg | c: 0,40 g / 100mL; Ubushyuhe: 21 ° C. | (6) IC |
| Imbaraga Zizunguruka | +77.8 deg | c: 0,62 g / 100mL; Umuti: Chloroform; λ: 589.3 nm; Ubushyuhe: 25 ° C. | (7) URUBANZA |
(1) Terasawa, Hirofumi; Imiti & Pharmaceutical Bulletin, (1989), 37 (12), 3382-5, CAplus
(2) Tagawa, Hiroaki; EP220601, A1, 1987, CAplus
(3) Henegar, Kevin E.; Ikinyamakuru cya Chimie Organic, (1997), 62 (19), 6588-6597, CAplus
(4) Watanabe, Tatsuya; Chimie - Ikinyamakuru cyo muri Aziya, (2013), 8 (3), 630-638, CAplus
(5) Ejima, Akio; Ikinyamakuru cya Sosiyete Simiya, Ibicuruzwa bya Perkin 1: Ibinyabuzima na Bio-Organic Chemistry (1972-1999), (1990) (1), 27-31, CAplus
(6) Wani, Mansukh C.; Ikinyamakuru cya chimie yubuvuzi, (1987), 30 (12), 2317-19, CAplus
(7) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, CAplus
Ubushyuhe
| Umutungo | Agaciro | Imiterere | Inkomoko | |
| Ingingo yo gushonga | 183-185 ° C (decomp) | (1) URUBANZA | ||
| Ingingo yo gushonga | 177.1-178.3 ° C. | (2) URUBANZA | ||
| Ingingo yo gushonga | 176-177 ° C (decomp) | (3) IC | ||
| Ingingo yo gushonga | 169-170 ° C. | Umuti: | Ethyl acetate | (4) IC |
(1) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, CAplus
(2) Henegar, Kevin E.; Ikinyamakuru cya Chimie Organic, (1997), 62 (19), 6588-6597, CAplus
(3) Ejima, Akio; Ikinyamakuru cya Sosiyete Simiya, Ibicuruzwa bya Perkin 1: Ibinyabuzima na Bio-Organic Chemistry (1972-1999), (1990) (1), 27-31, CAplus
(4) Wani, Mansukh C.; Ikinyamakuru cya chimie yubuvuzi, (1987), 30 (12), 2317-19, CAplus
Spectra irahari
1H NMR
Misa
| Ibyiza birahari |
| Ibinyabuzima |
| Imiti |
| Ubucucike |
| Lipinski |
| Imiterere ijyanye |
| Ubushyuhe |
Ibinyabuzima
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 1.0 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Imiti
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 7.37 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.37 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.37 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.37 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.37 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.37 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.37 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 7.37 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.33 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 6.94 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.94 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.94 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.94 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.94 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.94 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.94 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.94 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.94 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.94 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.96 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logP | -0.936 ± 0.842 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 371 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 371 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 371 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 371 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 371 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 371 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 371 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 371 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 371 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 371 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 392 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 371 g / L. | Amazi adafite ingufu pH 5.53; Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 1.41 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.41 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.41 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.41 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.41 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.41 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko | |
| Amashanyarazi | 1.41 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD | |
| Amashanyarazi | 1.41 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD | |
| Amashanyarazi | 1.41 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD | |
| Amashanyarazi | 1.41 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD | |
| Amashanyarazi | 1.49 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD | |
| Amashanyarazi | 1.41 mol / L. | Amazi adafite ingufu pH 5.53; Ubushyuhe: 25 ° C. | (1) ACD | |
| Uburemere bwa molekile | 263.25 | |||
| pKa | 11.20 ± 0.20 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD | |
| pKa | -2.24 ± 0.40 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD | |
| Umuvuduko w'umwuka | 1.29 x 10-20 | Torr | Ubushyuhe: 25 ° C. | (1) ACD |
.
Ubucucike
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubucucike | 1.50 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
| Umubumbe wa Molar | 174.8 ± 5.0 cm3 / mol | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
.
Lipinski
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 2 | (1) ACD | |
| H Abakira | 6 | (1) ACD | |
| H Abaterankunga | 1 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 7 | (1) ACD | |
| logP | -0.936 ± 0.842 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 263.25 |
.
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubuso bwa polarike | 83.9 A2 | (1) ACD | |
.
Ubushyuhe
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ingingo | 666.6 ± 55.0 ° C. | Kanda: 760 Torr | (1) ACD |
| Umwuka wo guhumeka | 112.17 ± 6.0 kJ / mol | Kanda: 760 Torr | (1) ACD |
| Flash point | 357.0 ± 31.5 ° C. | (1) ACD |
.
Spectra irahari
1H NMR
13C NMR
| Kode | Amagambo ya Hazard | Inkomoko |
| H319 | Bitera uburakari bukabije bw'amaso | Ikigo cy’uburayi gishinzwe imiti (ECHA) Itondekanya & Ibarura ryamenyeshejwe - Kumenyeshwa ibyiciro no kumenyekanisha - kumenyeshwa cyane, Ikigo cy’Uburayi gishinzwe imiti (ECHA) Ibyiciro & Ibirango - Kumenyekanisha ibyiciro no gushyiramo ikimenyetso - kumenyesha bikomeye |
| H302 | Byangiza niba byamizwe | Ikigo cy’uburayi gishinzwe imiti (ECHA) Itondekanya & Ibarura ryamenyeshejwe - Kumenyeshwa ibyiciro no kumenyekanisha - kumenyeshwa cyane, Ikigo cy’Uburayi gishinzwe imiti (ECHA) Ibyiciro & Ibirango - Kumenyekanisha ibyiciro no gushyiramo ikimenyetso - kumenyesha bikomeye |
Amakuru Yubucuruzi Yibanga: Rusange
| Amagambo asobanura | ||
| . | - | Igifaransa |
| (S) -4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyranno | - | Igifaransa |
| (S) -4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano (3,4-f) indolizine-3,6,10 (4H) | - | Ikidage, Ikidage |
| (S) -4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano (3,4-f) indolizine-3,6,10 (4H) | - | Ikidage |
| (S) -4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano [3,4-f] indolizine-3,6,10 (4H) | - | Ikidage, Ikidage |
| (S) -4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano [3,4-f] indolizine-3,6,10 (4H) | - | Ikidage |
| (S) -4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano | - | - |
| . | - | Igiporutugali, Icyesipanyoli |
| (S) -4-etil-4-hidroxi-7,8-dihidro-1H-pirano | - | Igiporutugali, Icyesipanyoli |
| . | - | Umutaliyani |
| (S) -4-etil-4-idrossi-7,8-diidro-1H-pirano | - | Umutaliyani |
| . | - | Igisuwede |
| (S) -4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano | - | Igisuwede |
| . | - | Igifinilande |
| (S) -4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano [3,4-f] indolitsiini-3,6,10 (4H) -trioni | - | Igifinilande |
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