C20H23N5O6 Adenosine, N-benzoyl-2′-O- (2-mikorerexyethyl) - (9CI, ACI)
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 429.43 | - |
| Ubucucike (Biteganijwe) | 1.53 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr |
| pKa (Byahanuwe) | 13.15 ± 0.70 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical O = C (NC1 = NC = NC2 = C1N = CN2C3OC (CO) C (O) C3OCCOC) C = 4C = CC = CC4
Isomeric SMILES O (CCOC) [C @ H] 1 [C @@ H] (O [C @ H] (CO) [C @ H] 1O) N2C = 3C (N = C2) = C (NC (= O ) C4 = CC = CC = C4) N = CN3
InChI
InChI = 1S / C20H23N5O6 / c1-29-7-8-30-16-15 (27) 13 (9-26) 31-20 (16) 25-11-23-14-17 (21-10-22- 18 (14) 25) 24-19 (28) 12-5-3-2-4-6-12 / h2-6,1 0-11,13,15-16,20,26-27H, 7-9H2 , 1H3, (H, 21,22,24,28) / t13-, 15-, 16-, 20- / m1 / s1
InChI Urufunguzo
RUFJMCSVNNGZFB-KHTYJDQRSA-N
2 Andi mazina kuriyi ngingo
N-Benzoyl-2′-O- (2-mikorerexyethyl) adenosine (ACI); N6-Benzoyl-2′-O- (2-mikorerexyethyl) adenosine
Spectra irahari
1H NMR
13C NMR
| Ibyiza birahari |
| Ibinyabuzima |
| Imiti |
| Ubucucike |
| Lipinski |
| Imiterere ijyanye |
Ibinyabuzima
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 3.71 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 14.6 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 20.9 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 21.8 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 21.9 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 21.8 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 21.4 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 17.6 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 6.52 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.08 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Imiti
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 53.2 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 210 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 299 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 312 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 314 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 313 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 306 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 253 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 93.5 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 15.5 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 1.30 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 1.90 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 2.05 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 2.07 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 2.07 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 2.07 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 2.06 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 1.98 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 1.54 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 0.76 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logP | 2.085 ± 0.689 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 0.030 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.17 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.0429 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.030 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.029 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.029 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.029 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.029 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.036 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.094 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0,60 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.029 g / L. | Amazi adafite ingufu pH 6.38; Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 7.0 x 10-5 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.9 x 10-4 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.00 x 10-4 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 7.0 x 10-5 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.7 x 10-5 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.7 x 10-5 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.7 x 10-5 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Amashanyarazi | 6.8 x 10-5 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 8.3 x 10-5 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.2 x 10-4 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.4 x 10-3 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.7 x 10-5 mol / L. | Amazi adafite ingufu pH 6.38; Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 429.43 | ||
| pKa | 13.15 ± 0.70 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
| pKa | 8.80 ± 0.10 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
.
Ubucucike
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubucucike | 1.53 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
| Umubumbe wa Molar | 280.3 ± 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 | 11 | (1) ACD | |
| H Abaterankunga | 3 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 14 | (1) ACD | |
| logP | 2.085 ± 0.689 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 429.43 |
.
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubuso bwa polarike | 141 A2 | (1) ACD | |
.
Spectra irahari
1H NMR
13C NMR
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