C30H30N2O8 Uridine, 5′-O- [bis (4-mikorerexyphenyl) fenylmethyl] - (9CI, ACI)
Ibyingenzi Byumubiri | Agaciro | Imiterere |
Uburemere bwa molekile | 546.57 | - |
Ingingo yo gushonga (Ubushakashatsi) | 111-112 ° C. | Umuti: Ethyl acetate |
Ubucucike (Biteganijwe) | 1.343 ± 0.06 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr |
pKa (Byahanuwe) | 9.39 ± 0.10 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical O = C1C = CN (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2O
SMILES Isomeric C (OC [C @ H] 1O [C @ H] ([C @ H] (O) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = C5
InChI
InChI = 1S / C30H30N2O8 / c1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19,21-10-14-23 (38- 2) 15-11-21) 39-18-24-26 (34) 27 (35) 28 (40-24) 32-
17-16-25 (33) 31-29 (32) 36 / h3-17,24,26-28,34-35H, 18H2,1-2H3, (H, 31,33,36) / t24-, 26 -, 27-, 28- / m1 / s1
InChI Urufunguzo
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Andi mazina kuriyi ngingo
5′-O- [Bis (4-mikorerexyphenyl) fenylmethyl] uridine (ACI); Uridine, 5′-O- [α, α-bis (p-mikorerexyphenyl) benzyl] - (7CI); 5′-Urimetine ya Dimethoxytrityl; 5′-O- (4,4′-Dimethoxytrityl) uridine
Ibyiza birahari |
Ubushyuhe |
Ubushyuhe
Umutungo | Agaciro | Imiterere | Inkomoko | |
Ingingo yo gushonga | 122-123 ° C. | (1) URUBANZA | ||
Ingingo yo gushonga | 111-112 ° C. | Umuti: | Ethyl acetate | (2) URUBANZA |
Ingingo yo gushonga | Reba Inyandiko Yuzuye | (3) URUBANZA |
(1) Zekri, Negar; Amatangazo ya societe yimiti ya Etiyopiya, (2010), 24 (2), 299-304, CAplus
(2) Patil, Premanand Ramrao; Ikinyamakuru cya Carbohydrate Chemistry, (2008), 27 (5), 279-293, CAplus
(3) Khalafi-Nezhad, Ali; Amabaruwa ya Tetrahedron, (2004), 45 (36), 6737-6739, CAplus
Spectra irahari
1H NMR
13C NMR
Misa
Ibyiza birahari |
Ibinyabuzima |
Imiti |
Ubucucike |
Lipinski |
Imiterere ijyanye |
Ibinyabuzima
Umutungo | Agaciro | Imiterere | Inkomoko |
Ikintu cya Bioconcentration | 904 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 904 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 904 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 904 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 904 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 904 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 900 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 861 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 602 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Ikintu cya Bioconcentration | 156 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Imiti
Umutungo | Agaciro | Imiterere | Inkomoko |
Koc | 4550 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 4550 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 4550 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 4550 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 4550 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 4540 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 4520 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 4330 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 3030 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 785 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 4.19 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 4.19 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 4.19 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 4.19 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 4.19 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 4.19 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 4.19 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 4.17 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 4.02 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 3.43 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
logP | 4.192 ± 0.628 | Ubushyuhe: 25 ° C. | (1) ACD |
Mass Massins Solubility | 3.2 x 10-4 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 3.2 x 10-4 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 3.2 x 10-4 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 3.2 x 10-4 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 3.2 x 10-4 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 3.2 x 10-4 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 3.2 x 10-4 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 3.2 x 10-4 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Gukemura ibibazo | 3.3 x 10-4 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 4.8 x 10-4 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.9 x 10-3 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 3.2 x 10-4 g / L. | Amazi adafite amazi pH 6.99; Ubushyuhe: 25 ° C. | (1) ACD |
Molar Intrinsic Solubility | 5.8 x 10-7 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.8 x 10-7 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.8 x 10-7 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.8 x 10-7 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.8 x 10-7 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.8 x 10-7 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.8 x 10-7 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.8 x 10-7 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 6.1 x 10-7 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 8.7 x 10-7 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 3.4 x 10-6 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.8 x 10-7 mol / L. | Amazi adafite amazi pH 6.99; Ubushyuhe: 25 ° C. | (1) ACD |
Uburemere bwa molekile | 546.57 | ||
pKa | 9.39 ± 0.10 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
.
Ubucucike
Umutungo | Agaciro | Imiterere | Inkomoko |
Ubucucike | 1.343 ± 0.06 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
Umubumbe wa Molar | 406.9 ± 3.0 cm3 / mol | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
.
Lipinski
Umutungo | Agaciro | Imiterere | Inkomoko |
Impapuro zishobora guhinduka | 11 | (1) ACD | |
H Abakira | 10 | (1) ACD | |
H Abaterankunga | 3 | (1) ACD | |
H Abaterankunga / Abemera Sum | 13 | (1) ACD | |
logP | 4.192 ± 0.628 | Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Uburemere bwa molekile | 546.57 |
.
Imiterere ijyanye
Umutungo | Agaciro | Imiterere | Inkomoko |
Ubuso bwa polarike | 127 A2 | (1) ACD |
.
Spectra irahari
1H NMR
13C NMR