![C31H30N2O7 6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-imwe, 2 - [[bis , 9a-tetrahydro-3-hydroxy-7- methyl-, (2R, 3R, 3aS, 9aR) - (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-imwe, 2 - [[bis , 9a-tetrahydro-3-hydroxy-7- methyl-, (2R, 3R, 3aS, 9aR) - (9CI, ACI) Ishusho Yerekanwe](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-imwe, 2 - [[bis , 9a-tetrahydro-3-hydroxy-7- methyl-, (2R, 3R, 3aS, 9aR) - (9CI, ACI)
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 542.58 | - |
| Ingingo yo guteka (Biteganijwe) | 692.9 ± 65.0 ° C. | Kanda: 760 Torr |
| Ubucucike (Biteganijwe) | 1.33 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr |
| pKa (Byahanuwe) | 12.51 ± 0.60 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical O = C1N = C2OC3C (O) C (OC3N2C = C1C) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6
SMILES Isomeric C (OC [C @ H] 1O [C @@] 2 ([C @] ([C @@ H] 1O) (OC = 3N2C = C (C) C (= O) N3) [H] ) [H]) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
InChI
InChI = 1S / C31H30N2O7 / c1-19-17-33-29-27 (40-30 (33) 32-28 (19) 35) 26 (34) 25 (39-29) 18-38-31 (20- 7-5-4-6-8-20,21-9-13-23 (36-2) 14-10-21
) 22-11-15-24 (37-3) 16-12-22 / h4-17,25-27,29,34H, 18H2,1-3H3 / t25-, 26-, 27 +, 29- / m1 / s1
InChI Urufunguzo
BQEQCEZNLIKSSH-CITHKVLSSA-N
1 Irindi zina kuriyi ngingo
. (2R, 3R, 3aS, 9aR) -2 - [[Bis 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-imwe (ACI)
Spectra irahari
1H NMR
13C NMR
Misa
| Ibyiza birahari |
| Ibinyabuzima |
| Imiti |
| Ubucucike |
| Lipinski |
| Imiterere ijyanye |
| Ubushyuhe |
Ibinyabuzima
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 2800 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2800 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2800 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2800 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2800 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2800 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2800 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2800 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2800 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2790 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Imiti
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 10200 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 10200 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 10200 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 10200 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 10200 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 10200 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 10200 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 10200 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 10200 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 10200 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.84 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.84 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.84 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.84 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.84 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.84 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.84 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.84 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.84 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.84 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logP | 4.839 ± 0.618 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 3.6 x 10-4 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.6 x 10-4 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.6 x 10-4 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.6 x 10-4 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.6 x 10-4 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.6 x 10-4 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.6 x 10-4 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.6 x 10-4 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.6 x 10-4 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.6 x 10-4 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.6 x 10-4 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.6 x 10-4 g / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 6.6 x 10-7 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.6 x 10-7 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.6 x 10-7 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.6 x 10-7 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Amashanyarazi | 6.6 x 10-7 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.6 x 10-7 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.6 x 10-7 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.6 x 10-7 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.6 x 10-7 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.6 x 10-7 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.7 x 10-7 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.6 x 10-7 mol / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 542.58 | ||
| pKa | 12.51 ± 0.60 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
| pKa | -4.38 ± 0.60 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
| Umuvuduko w'umwuka | 3.73 x 10-20 Torr | Ubushyuhe: 25 ° C. | (1) ACD |
.
Ubucucike
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubucucike | 1.33 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
| Umubumbe wa Molar | 404.9 ± 7.0 cm3 / mol | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
.
Lipinski
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 9 | (1) ACD | |
| H Abakira | 9 | (1) ACD | |
| H Abaterankunga | 1 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 10 | (1) ACD | |
| logP | 4.839 ± 0.618 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 542.58 |
.
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubuso bwa polarike | 99.1 A2 | (1) ACD | |
.
Ubushyuhe
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ingingo | 692.9 ± 65.0 ° C. | Kanda: 760 Torr | (1) ACD |
| Umwuka wo guhumeka | 106.61 ± 3.0 kJ / mol | Kanda: 760 Torr | (1) ACD |
| Flash point | 372.8 ± 34.3 ° C. | (1) ACD |
.
Spectra irahari
1H NMR
13C NMR
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