![C30H28N2O7 6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-umwe, 2 - [[bis , 9a-tetrahydro-3-hydroxy-, (2R, 3R, 3aS, 9aR) - (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-umwe, 2 - [[bis , 9a-tetrahydro-3-hydroxy-, (2R, 3R, 3aS, 9aR) - (9CI, ACI) Ishusho Yerekanwe](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-umwe, 2 - [[bis , 9a-tetrahydro-3-hydroxy-, (2R, 3R, 3aS, 9aR) - (9CI, ACI)
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 528.55 | - |
| Ingingo yo gushonga (Ubushakashatsi) | 129.5-130 ° C. | - |
| Ingingo yo guteka (Biteganijwe) | 688.2 ± 65.0 ° C. | Kanda: 760 Torr |
| Ubucucike (Biteganijwe) | 1.35 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr |
| pKa (Byahanuwe) | 12.51 ± 0.40 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical O = C1N = C2OC3C (O) C (OC3N2C = C1) 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 = CC (= O) N3) [H]) [H] ) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
InChI
InChI = 1S / C30H28N2O7 / c1-35-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19,21-10-14-23 (36- 2) 15-11-21) 37-18-24-26 (34) 27-28 (38-24) 32-17- 16-25 (33) 31-29 (32) 39-27 / h3-17, 24,26-28,34H, 18H2,1-2H3 / t24-, 26-, 27 +, 28- / m1 / s1
InChI Urufunguzo
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Andi mazina kuriyi ngingo
. (2R, 3R, 3aS, 9aR) -2 - [[Bis , 5] oxazolo [3,2-a] pyrimidin-6-imwe (ACI); 6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-imwe, 2 - [[bis (4-mikoro -
tetrahydro-3-hydroxy-, [2R- (2α, 3β, 3aβ, 9aβ)] - (ZCI)
| Ibyiza birahari |
| Ubushyuhe |
Ubushyuhe
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ingingo yo gushonga | 129.5-130 ° C. | (1) URUBANZA | |
(1) Szlenkier, Maurycy; Nucleoside, Nucleotide & Acide Nucleic, (2016), 35 (8), 410-425, CAplus
| Spectra irahari |
| 1H NMR |
| 13C NMR |
| IR |
| Misa |
Ibintu Byateganijwe
| Ibyiza birahari |
| Ibinyabuzima |
| Imiti |
| Ubucucike |
| Lipinski |
| Imiterere ijyanye |
| Ubushyuhe |
Ibinyabuzima
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 1360 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1360 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1360 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1360 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1360 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1360 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1360 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 1360 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1360 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1350 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Imiti
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 6080 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 6080 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 6080 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 6080 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 6080 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 6080 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 6080 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 6080 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 6070 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 6060 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.42 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.42 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.42 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.42 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.42 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.42 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.42 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.42 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.42 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.42 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logP | 4.424 ± 0.618 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 5.8 x 10-4 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.8 x 10-4 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.8 x 10-4 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.8 x 10-4 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.8 x 10-4 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.8 x 10-4 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Gukemura ibibazo | 5.8 x 10-4 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.8 x 10-4 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.8 x 10-4 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.8 x 10-4 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.8 x 10-4 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.8 x 10-4 g / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 1.1 x 10-6 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-6 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-6 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-6 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-6 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-6 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-6 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-6 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-6 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-6 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-6 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-6 mol / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 528.55 | ||
| pKa | 12.51 ± 0.40 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
| pKa | -4.70 ± 0.60 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
| Umuvuduko w'umwuka | 6.91 x 10-20 Torr | Ubushyuhe: 25 ° C. | (1) ACD |
.
Ubucucike
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubucucike | 1.35 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
| Umubumbe wa Molar | 389.8 ± 7.0 cm3 / mol | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
.
Lipinski
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 9 | (1) ACD | |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| H Abakira | 9 | (1) ACD | |
| H Abaterankunga | 1 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 10 | (1) ACD | |
| logP | 4.424 ± 0.618 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 528.55 |
.
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubuso bwa polarike | 99.1 A2 | (1) ACD | |
.
Ubushyuhe
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ingingo | 688.2 ± 65.0 ° C. | Kanda: 760 Torr | (1) ACD |
| Umwuka wo guhumeka | 105.96 ± 3.0 kJ / mol | Kanda: 760 Torr | (1) ACD |
| Flash point | 370.0 ± 34.3 ° C. | (1) ACD |
.
Spectra irahari
1H NMR
13C NMR
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