C13h13No5 1h-Pyrano [3,4-F] Indolizine-3,6,6) -Trione, 4- Hydroxy-,
Imbaraga z'umubiri | Agaciro | Imiterere |
Uburemere bwa molekile | 263.25 | - |
Gushonga Ingingo (Igeragezwa) | 177.1-178.3 ° C. | - |
Ingingo itetse (Yahanuwe) | 666.6 ± 55.0 ° C. | Kanda: 760 Torr |
Ubucucike (bwahanuwe) | 1.50 ± 0.1 g / cm3 | Temp: 20 ° C; Kanda: 760 Torr |
PKA (byahanuwe) | 11.20 ± 0.20 | Acide menshi: 25 ° C. |
Canonical amwenyura o = C1C2 = C (C = c3c (= o) ccn13) c (o) (o) OC2) CC
Isomeric amwenyura c (c) [c @] 1 (o) c2 = c (c (= o) n3c (= c2) cc3) coc1 = o
Inchi
Inchi = 1S / C13H13No5 / C1-2-13 (18)
Inchi
IgKWOGMVAOYSVSJ-ZDUSSSCGGKSA-N.
5 Andi mazina kuriyi ngingo
. 1h-pyrano [3,4-F] Indolizine-3,6,10 (4h) -Trione, 4- ethine, 4,8-DYLDROXY-4) - (zci); . (4s) -4-Ethyl-4-
Hydroxy-7,8-Diarydro-1h-Pyrano [3,4-F] Indolizine - 3,6,6-Trione; .
Ibyiza birahari |
Optique no gutatanya |
Ubushyuhe |
Optique no gutatanya
Umutungo | Agaciro | Imiterere | Isoko |
Imbaraga zo kuzenguruka | +120.6 DEG | c: 0.62 g / 100ml; Solven: Chloroform | (1) IC |
Imbaraga zo kuzenguruka | +120.57 DEG | c: 0.62 g / 100ml; Solven: chloroform; Temp: 20 ° C. | (2) IC |
Imbaraga zo kuzenguruka | +119.57 DEG | c: 1.0 g / 100ml; Solven: chloroform; λ: 589.3 NM; Temp: 25 ° C. | (3) cas |
Imbaraga zo kuzenguruka | +11.57 dogere · ml / g · dm | c: 1.0 g / 100ml; Solven: chloroform; λ: umurongo wa sodium d; Temp: 25 ° C. | (4) cas |
Imbaraga zo kuzenguruka | +117.6 Deg | c: 0.56 g / 100ml; Solven: chloroform; Temp: 23 ° C. | (5) IC |
Imbaraga zo kuzenguruka | +111.14 dogere · ml / g · dm | c: 1.0 g / 100ml; Solven: chloroform; λ: umurongo wa sodium d; Temp: 26 ° C. | (4) cas |
Imbaraga zo kuzenguruka | +96 DEG | c: 0.40 g / 100ml; Temp: 21 ° C. | (6) IC |
Imbaraga zo kuzenguruka | +77.8 DEG | c: 0.62 g / 100ml; Solven: chloroform; λ: 589.3 NM; Temp: 25 ° C. | (7) cas |
(1) Terasawa, Hirofumi; Imiti & Faruryasi bitique, (1989), 37 (12), 3382-5, Caplus
(2) Tagawa, Hiroaki; EP220601, A1, 1987, Caplus
(3) henegar, Kevin e .; Ikinyamakuru cya chimie organifi, (1997), 62 (19), 6588-6597, Caplus
(4) wananabe, Tatsuya; Chimie - Ikinyamakuru cyo muri Aziya, (2013), 8 (3), 630-6-588, Caplus
(5) EJIMA, Akio; Ikinyamakuru cy'umuryango wa shimi, ibikorwa bya Perkin 1: Chimic Organic na Bio-Organio (1972-1999), (1990) (1), 27-31, Caplus
(6) wani, mansukh c .; Ikinyamakuru Chimieme ya Chimie, (1987), 30 (12), 2317-19, Caplus
(7) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
Ubushyuhe
Umutungo | Agaciro | Imiterere | Isoko | |
Gushonga | 183-185 ° C (Decomp) | (1) cas | ||
Gushonga | 177.1-178.3 ° C. | (2) cas | ||
Gushonga | 176-177 ° C (DECOMP) | (3) IC | ||
Gushonga | 169-170 ° C. | Solven: | Ethyl Acetate | (4) IC |
(1) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
(2) henegar, Kevin e .; Ikinyamakuru cya chimie organifi, (1997), 62 (19), 6588-6597, Caplus
(3) EJIMA, Akio; Ikinyamakuru cy'umuryango wa shimi, ibikorwa bya Perkin 1: Chimic Organic na Bio-Organio (1972-1999), (1990) (1), 27-31, Caplus
(4) wani, mansukh c .; Ikinyamakuru Chimieme ya Chimie, (1987), 30 (12), 2317-19, Caplus
Spectra irahari
1h nmr
Misa
Ibyiza birahari |
Ibinyabuzima |
Imiti |
Ubucucike |
Lipinski |
Imiterere |
Ubushyuhe |
Ibinyabuzima
Umutungo | Agaciro | Imiterere | Isoko |
BioConcentration | 1.0 | ph 1; Temp: 25 ° C. | (1) acd |
BioConcentration | 1.0 | ph 2; Temp: 25 ° C. | (1) acd |
BioConcentration | 1.0 | ph 3; Temp: 25 ° C. | (1) acd |
BioConcentration | 1.0 | ph 4; Temp: 25 ° C. | (1) acd |
BioConcentration | 1.0 | ph 5; Temp: 25 ° C. | (1) acd |
BioConcentration | 1.0 | pH 6; Temp: 25 ° C. | (1) acd |
BioConcentration | 1.0 | pH 7; Temp: 25 ° C. | (1) acd |
BioConcentration | 1.0 | ph 8; Temp: 25 ° C. | (1) acd |
BioConcentration | 1.0 | pH 9; Temp: 25 ° C. | (1) acd |
BioConcentration | 1.0 | PH 10; Temp: 25 ° C. | (1) acd |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
Imiti
Umutungo | Agaciro | Imiterere | Isoko |
Koc | 7.37 | ph 1; Temp: 25 ° C. | (1) acd |
Koc | 7.37 | ph 2; Temp: 25 ° C. | (1) acd |
Koc | 7.37 | ph 3; Temp: 25 ° C. | (1) acd |
Koc | 7.37 | ph 4; Temp: 25 ° C. | (1) acd |
Koc | 7.37 | ph 5; Temp: 25 ° C. | (1) acd |
Koc | 7.37 | pH 6; Temp: 25 ° C. | (1) acd |
Koc | 7.37 | pH 7; Temp: 25 ° C. | (1) acd |
Umutungo | Agaciro | Imiterere | Isoko |
Koc | 7.37 | ph 8; Temp: 25 ° C. | (1) acd |
Koc | 7.33 | pH 9; Temp: 25 ° C. | (1) acd |
Koc | 6.94 | PH 10; Temp: 25 ° C. | (1) acd |
Logd | -0.94 | ph 1; Temp: 25 ° C. | (1) acd |
Logd | -0.94 | ph 2; Temp: 25 ° C. | (1) acd |
Logd | -0.94 | ph 3; Temp: 25 ° C. | (1) acd |
Logd | -0.94 | ph 4; Temp: 25 ° C. | (1) acd |
Logd | -0.94 | ph 5; Temp: 25 ° C. | (1) acd |
Logd | -0.94 | pH 6; Temp: 25 ° C. | (1) acd |
Logd | -0.94 | pH 7; Temp: 25 ° C. | (1) acd |
Logd | -0.94 | ph 8; Temp: 25 ° C. | (1) acd |
Logd | -0.94 | pH 9; Temp: 25 ° C. | (1) acd |
Logd | -0.96 | PH 10; Temp: 25 ° C. | (1) acd |
LogP | -0.936 ± 0.842 | Temp: 25 ° C. | (1) acd |
Misa yimbere | 371 G / L. | Temp: 25 ° C. | (1) acd |
Rusange | 371 G / L. | ph 1; Temp: 25 ° C. | (1) acd |
Rusange | 371 G / L. | ph 2; Temp: 25 ° C. | (1) acd |
Rusange | 371 G / L. | ph 3; Temp: 25 ° C. | (1) acd |
Rusange | 371 G / L. | ph 4; Temp: 25 ° C. | (1) acd |
Rusange | 371 G / L. | ph 5; Temp: 25 ° C. | (1) acd |
Rusange | 371 G / L. | pH 6; Temp: 25 ° C. | (1) acd |
Rusange | 371 G / L. | pH 7; Temp: 25 ° C. | (1) acd |
Rusange | 371 G / L. | ph 8; Temp: 25 ° C. | (1) acd |
Rusange | 371 G / L. | pH 9; Temp: 25 ° C. | (1) acd |
Rusange | 392 G / L. | PH 10; Temp: 25 ° C. | (1) acd |
Rusange | 371 G / L. | Amazi atagenzuwe PH 5.53; Temp: 25 ° C. | (1) acd |
Morlar Mainsic Lowelity | 1.41 Mol / l | Temp: 25 ° C. | (1) acd |
Umuryango wawe | 1.41 Mol / l | ph 1; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 1.41 Mol / l | ph 2; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 1.41 Mol / l | ph 3; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 1.41 Mol / l | ph 4; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 1.41 Mol / l | ph 5; Temp: 25 ° C. | (1) acd |
Umutungo | Agaciro | Imiterere | Isoko | |
Umuryango wawe | 1.41 Mol / l | pH 6; Temp: 25 ° C. | (1) acd | |
Umuryango wawe | 1.41 Mol / l | pH 7; Temp: 25 ° C. | (1) acd | |
Umuryango wawe | 1.41 Mol / l | ph 8; Temp: 25 ° C. | (1) acd | |
Umuryango wawe | 1.41 Mol / l | pH 9; Temp: 25 ° C. | (1) acd | |
Umuryango wawe | 1.49 Mol / l | PH 10; Temp: 25 ° C. | (1) acd | |
Umuryango wawe | 1.41 Mol / l | Amazi atagenzuwe PH 5.53; Temp: 25 ° C. | (1) acd | |
Uburemere bwa molekile | 263.25 | |||
PKA | 11.20 ± 0.20 | Acide menshi: 25 ° C. | (1) acd | |
PKA | -2.24 ± 0.40 | Icyiciro cyibanze: 25 ° C. | (1) acd | |
Umuvuduko ukabije | 1.29 x 10-20 | Torr | Temp: 25 ° C. | (1) acd |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
Ubucucike
Umutungo | Agaciro | Imiterere | Isoko |
Ubucucike | 1.50 ± 0.1 g / cm3 | Temp: 20 ° C; Kanda: 760 Torr | (1) acd |
Umubumbe | 174.8 ± 5.0 cm3 / mol | Temp: 20 ° C; Kanda: 760 Torr | (1) acd |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
Lipinski
Umutungo | Agaciro | Imiterere | Isoko |
Ubusambanyi bwuzuye | 2 | (1) acd | |
H yemera | 6 | (1) acd | |
H | 1 | (1) acd | |
H umuterankunga / kubyemera | 7 | (1) acd | |
LogP | -0.936 ± 0.842 | Temp: 25 ° C. | (1) acd |
Uburemere bwa molekile | 263.25 |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
Imiterere
Umutungo | Agaciro | Imiterere | Isoko |
Agace k'amashanyarazi | 83.9 A2 | (1) acd |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
Ubushyuhe
Umutungo | Agaciro | Imiterere | Isoko |
Ingingo itetse | 666.6 ± 55.0 ° C. | Kanda: 760 Torr | (1) acd |
Enthalp ya Vaporisation | 112.17 ± 6.0 KJ / MOL | Kanda: 760 Torr | (1) acd |
Flash point | 357.0 ± 31.5 ° C. | (1) acd |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
Spectra irahari
1h nmr
13c nmr
Kode | Imvugo ya hazard | Isoko |
H319 | Itera uburakari bukomeye | Ikigo gishinzwe Uburayi (Echa) gishyizwe mu bikorwa & Ibarura ry'imyambarire - Kumenyekana ibyiciro no kumenyesha imiti, Ibarura ry'i Burayi (Echa) Ikigo gishinzwe gushyiraho |
H302 | Byangiza niba byamizwe | Ikigo gishinzwe Uburayi (Echa) gishyizwe mu bikorwa & Ibarura ry'imyambarire - Kumenyekana ibyiciro no kumenyesha imiti, Ibarura ry'i Burayi (Echa) Ikigo gishinzwe gushyiraho |
Amakuru yubucuruzi yibanga: rubanda
SENULATORY | ||
. | - | Igifaransa |
. | - | Igifaransa |
. | - | Danemark, Ikidage |
. | - | Ikidage |
. | - | Danemark, Ikidage |
. | - | Ikidage |
. | - | - |
(S) -4-etil-4-Hidroxi-7,8-Dihidro-1h-Pirano (3,4-F) Indolizina-3,6,10 (4h) -Triona | - | Igiporutugali, Icyesipanyoli |
(S) -4-etil-4-Hidroxi-7,8-Dihidro-1h-Pirano [3,4-F] Indolizina-3,6,6) -Triona | - | Igiporutugali, Icyesipanyoli |
(S) -4-etil-4-Idrossi-7,8-Diide-1h-Pirano (3,4-F) Indolizin-3,6,10 (4h) -Trione | - | Umutaliyani |
(S) -4-etil-4-Idrossi-7,8-Diide-1h-Pirano [3,4-F] Indolizin-3,6,10 (4h) -Trione | - | Umutaliyani |
. | - | Igisuwede |
(S) -4-etyl-4-hydroxi-7,8-diyddro-1h-pyrano [3,4-f] Indolizin-3,6,6h | - | Igisuwede |
. | - | Igifinilande |
. | - | Igifinilande |
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