C34H39N3O8 Cytidine, 5′-O- [bis (4-mikorerexyphenyl) phenylmethyl] -2′-O-
Ibyingenzi Byumubiri | Agaciro | Imiterere |
Uburemere bwa molekile | 617.69 | - |
Ingingo yo guteka (Biteganijwe) | 762.6 ± 70.0 ° C. | Kanda: 760 Torr |
Ubucucike (Biteganijwe) | 1.27 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr |
pKa (Byahanuwe) | 13.31 ± 0.70 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical O = C1N = C (N) C (= CN1C2OC (COC (C = 3C = CC = CC3)) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2OCCOC) C.
SMILES Isomeric C (OC [C @ H] 1O [C @ H] ([C @ H] (OCCOC) [C @@ H] 1O) N2C (= O) N = C (N) C (C) = C2 ) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = C5
InChI
InChI = 1S / C34H39N3O8 / c1-22-20-37 (33 (39) 36-31 (22) 35) 32-30 (43-19-18-40-2) 29 (38) 28 (45-32) 21-44-34 (23-8-6-5-7-9-23,24-10-14-26 (4 1-3) 15-11-24) 25-12-16-27 (42-4) 17-13-25 / h5-17,20,28-30,32,38H, 18-19,21H2,1- 4H3, (H2,35,36,39) / t28-, 29-, 30-, 32- / m1 / s1
InChI Urufunguzo
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Andi mazina kuriyi ngingo
5′-O- [Bis. 11: PN: US20030170636 URUPAPURO: 17 basabye RNA; 12: PN: US20030211606 URUPAPURO: 18 basabye R NA; 12: PN: US20030212017 URUPAPURO: 19 basabye R NA; 14: PN: US20040005569 PAG E: 21 yasabye R NA; 15: PN: US20040005565 URUPAPURO: 17- 22 basabye RNA; 15: PN: US20040005570 URUPAPURO: 19 basabye R NA; 15: PN: U S20040006030 URUPAPURO: 22 basabye R NA; 15: PN: US20040014048 URUPAPURO: 19 basabye R NA; 16: PN: US20030171313 URUPAPURO: 9 basabye RNA; 16: PN: US20030198965 URUPAPURO: 19 rwasabye R NA; 16: PN: US20040014047 URUPAPURO: 19 basabye R NA; 16: PN: US20040014049 URUPAPURO:
19 basabye RNA; 17: PN: US20040014051 URUPAPURO: 21 basabye R NA; 17: PN: US20040014699 URUPAPURO: 19 basabye R NA; 17: PN: W.
O03106645 URUPAPURO: 69 basabye R NA; 18: PN: US20040006029 URUPAPURO: 22 basabye R NA; 2′-O-Methoxyethyl-5′-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 URUPAPURO: 15 basabye R NA; 5: PN: WO2005006958 URUPAPURO: 61 basabye R NA; 7: PN: WO20050 07825 URUPAPURO: 61 basabye R NA; 82: PN: US20040171566 URUPAPURO: 18 rwasabye R NA; 89: PN: US20040005707 URUPAPURO: 19 basabye R NA; 9: PN: WO03084478 URUPAPURO: 56 basabye R NA
Ibyiza birahari |
Ibinyabuzima |
Imiti |
Ubucucike |
Lipinski |
Imiterere ijyanye |
Ubushyuhe |
Ibinyabuzima
Umutungo | Agaciro | Imiterere | Inkomoko |
Ikintu cya Bioconcentration | 1.56 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 1.99 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 6.19 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 38.0 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 116 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 146 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 150 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 151 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 151 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 151 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Imiti
Umutungo | Agaciro | Imiterere | Inkomoko |
Koc | 13.0 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 16.6 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 51.8 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 318 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 966 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1220 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1260 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Koc | 1260 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1260 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1260 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 1.18 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 1.29 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 1.78 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 2.57 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 3.05 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 3.16 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 3.17 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 3.17 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 3.17 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 3.17 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
logP | 3.169 ± 0.598 | Ubushyuhe: 25 ° C. | (1) ACD |
Mass Massins Solubility | 5.2 x 10-3 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 0.51 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 0,40 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 0.13 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 0.020 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 6.8 x 10-3 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 5.4 x 10-3 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 5.3 x 10-3 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 5.2 x 10-3 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 5.2 x 10-3 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 5.2 x 10-3 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 5.3 x 10-3 g / L. | Amazi adafite ingufu pH 7.05; Ubushyuhe: 25 ° C. | (1) ACD |
Molar Intrinsic Solubility | 8.4 x 10-6 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 8.2 x 10-4 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 6.4 x 10-4 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 2.1 x 10-4 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 3.3 x 10-5 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.1 x 10-5 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Amashanyarazi | 8.7 x 10-6 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 8.5 x 10-6 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 8.4 x 10-6 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 8.4 x 10-6 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 8.4 x 10-6 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 8.5 x 10-6 mol / L. | Amazi adafite ingufu pH 7.05; Ubushyuhe: 25 ° C. | (1) ACD |
Uburemere bwa molekile | 617.69 | ||
pKa | 13.31 ± 0.70 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
pKa | 4.58 ± 0.10 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
Umuvuduko w'umwuka | 1.89 x 10-24 Torr | Ubushyuhe: 25 ° C. | (1) ACD |
.
Ubucucike
Umutungo | Agaciro | Imiterere | Inkomoko |
Ubucucike | 1.27 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
Umubumbe wa Molar | 483.8 ± 7.0 cm3 / mol | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
.
Lipinski
Umutungo | Agaciro | Imiterere | Inkomoko |
Impapuro zishobora guhinduka | 14 | (1) ACD | |
H Abakira | 11 | (1) ACD | |
H Abaterankunga | 3 | (1) ACD | |
H Abaterankunga / Abemera Sum | 14 | (1) ACD | |
logP | 3.169 ± 0.598 | Ubushyuhe: 25 ° C. | (1) ACD |
Uburemere bwa molekile | 617.69 |
.
Imiterere ijyanye
Umutungo | Agaciro | Imiterere | Inkomoko |
Ubuso bwa polarike | 134 A2 | (1) ACD |
.
Ubushyuhe
Umutungo | Agaciro | Imiterere | Inkomoko |
Ingingo | 762.6 ± 70.0 ° C. | Kanda: 760 Torr | (1) ACD |
Umwuka wo guhumeka | 116.53 ± 3.0 kJ / mol | Kanda: 760 Torr | (1) ACD |
Flash point | 415.0 ± 35.7 ° C. | (1) ACD |
.
Spectra irahari
1H NMR
13C NMR