C15H21N5O6 Guanosine, 2′-O-methyl-N- (2-methyl-1-oxopropyl) - (9CI, ACI)
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 367.36 | - |
| Ubucucike (Biteganijwe) | 1.68 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr |
| pKa (Byahanuwe) | 9.16 ± 0.20 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical O = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (CO) C (O) C3OC
Isomeric SMILES O (C) [C @ H] 1 [C @ H] (N2C3 = C (N = C2) C (= O) N = C (NC (C (C) C) = O) N3) O [ C @ H] (CO) [C @ H] 1O
InChI
InChI = 1S / C15H21N5O6 / c1-6 (2) 12 (23) 18-15-17-11-8 (13 (24) 19-15) 16-5-20 (11) 14-10 (25-3) 9 (22) 7 (4-21) 26-14 / h5-7,9-10,14,21- 22H, 4H2,1-3H3, (H2,17,18,19,23,24) / t7-, 9-, 10-, 14- / m1 / s1
InChI Urufunguzo
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Andi mazina kuriyi ngingo
2′-O-Methyl-N- (2-methyl-1-oxopropyl) guanosine (ACI);N2-Isobutyryl-2′-O-methylguanosine
Spectra irahari
1H NMR
13C NMR
Misa
| Ibyiza birahari |
| Ibinyabuzima |
| Imiti |
| Ubucucike |
| Lipinski |
| Imiterere ijyanye |
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 | 2.12 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 8.67 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 12.6 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 13.3 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 13.3 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 13.3 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 13.2 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 12.5 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.85 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.76 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -1.26 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.65 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.49 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.47 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.46 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.46 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.47 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.49 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.69 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -1.34 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logP | -0.464 ± 0.636 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 0.55 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.5 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.84 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.59 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.55 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.55 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.55 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.55 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.59 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0,96 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 4.4 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.55 g / L. | Amazi adafite ingufu pH 6.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 1.5 x 10-3 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 9.6 x 10-3 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.3 x 10-3 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.6 x 10-3 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.5 x 10-3 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.5 x 10-3 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Amashanyarazi | 1.5 x 10-3 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.5 x 10-3 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.6 x 10-3 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.6 x 10-3 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 0.012 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.5 x 10-3 mol / L. | Amazi adafite ingufu pH 6.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 367.36 | ||
| pKa | 9.16 ± 0.20 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
| pKa | 1.73 ± 0.10 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
.
Ubucucike
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubucucike | 1.68 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
| Umubumbe wa Molar | 217.6 ± 7.0 cm3 / mol | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
.
Lipinski
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 6 | (1) ACD | |
| H Abakira | 11 | (1) ACD | |
| H Abaterankunga | 4 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 15 | (1) ACD | |
| logP | -0.464 ± 0.636 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 367.36 |
.
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubuso bwa polarike | 147 A2 | (1) ACD | |
.
Spectra irahari
1H NMR
Spectra irahari
13C NMR
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