C41H43N3O9 Cytidine, N-benzoyl-5′-O- [bis (4-mikoro
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 721.80 | - |
| Ingingo yo gushonga (Ubushakashatsi) | 107-110 ° C. | - |
| Ubucucike (Biteganijwe) | 1.26 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr |
| pKa (Byahanuwe) | 8.60 ± 0.40 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical O = C1N = C (NC (= O) C = 2C = CC = CC2) C (= CN1C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3OCCOC) C.
Isomeric SMILES
C (OC [C @ H] 1O [C @ H] ([C @ H] (OCCOC) [C @@ H] 1O) N2C (= O) N = C (NC (= O) C3 = CC = CC = C3) C (C) = C2) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
InChI
InChI = 1S / C41H43N3O9 / c1-27-25-44 (40 (47) 43-37 (27) 42-38 (46) 28-11-7-5-8-12-28) 39-36 (51- 24-23-48-2) 35 (45) 34 (53-39) 26-52-41 (29-13
-9-6-10-14-29,30-15-19-32 (49-3) 20-16-30) 31-17-21-33 (50-4) 22-18-31 / h5-22 , 25,34-36,39,45H, 23-24,26H2,1-4H3, (H, 42,43,46,47) / t34-, 3 5-, 36-, 39- / m1 / s1
InChI Urufunguzo
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Andi mazina kuriyi ngingo
N-Benzoyl-5′-O- 10: PN: WO03084478 URUPAPURO: 57 basabye RNA; 12: PN: US20030170636 URUPAPURO: 17 basabye R NA; 13: PN: US20030212017 URUPAPURO: 19 basabye R NA; 14: PN: US20030
211606 URUPAPURO: 19 basabye R NA; 15: PN: US20040005569 URUPAPURO: 22 basabye R NA; 16: PN: US20040006030 URUPAPURO: 22 basabye R NA; 16: PN: US20040014048 URUPAPURO: 20 basabye R NA; 17: PN: US20030171313 URUPAPURO: 9 rwasabye R NA; 17: PN: US20040005565 URUPAPURO: 17- 22 basabye RNA; 17: PN: US20040005570 URUPAPURO: 20 basabye R NA; 17: PN: US20040014047 URUPAPURO: 20 basabye R NA; 17: PN: US20040 014050 URUPAPURO: 20 basabye R NA; 18: PN: US20030198965 URUPAPURO: 19 rwasabye R NA; 18: PN: US20040014699 URUPAPURO: 20 basabye R NA; 19: PN: US20040006029 URUPAPURO: 23 basabye R NA; 19: PN: WO03106645 URUPAPURO: 71 basabye R NA; 59: PN: US20030166592 URUPAPURO: 15 basabye RNA; 6: PN: WO2005006958 URUPAPURO: 62 basabye R NA; 83: PN: US20040171566 URUPAPURO: 18 basabye R NA; 8: PN: WO2005007825
URUPAPURO: 62 basabye R NA; 90: PN: US20040005707 URUPAPURO: 20 basabye R NA; N4-Benzoyl-2′-O-mikorerexyethyl-5′-O-dimethoxytrityl-5-
methylcytidine
| Ibyiza birahari |
| Ubushyuhe |
Ubushyuhe
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ingingo yo gushonga | 107-110 ° C. | (1) URUBANZA | |
(1) Penjarla, Srishylam; Nucleoside, Nucleotide & Acide Nucleic, (2018), 37 (4), 232-247, CAplus
Spectra irahari
1H NMR
13C NMR
| Ibyiza birahari |
| Ibinyabuzima |
| Imiti |
| Ubucucike |
| Lipinski |
| Imiterere ijyanye |
Ibinyabuzima
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 291 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 644 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 3690 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 15600 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 23700 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 24800 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 23300 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 14100 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 3010 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 558 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Imiti
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 569 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1260 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7210 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 30400 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 46300 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 48500 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 45500 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 27500 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 5890 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1090 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.16 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.50 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 5.26 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 5.88 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.07 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.09 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.06 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 5.84 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 5.17 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.44 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logP | 6.093 ± 0.720 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 1.3 x 10-4 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.011 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.0 x 10-3 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 8.7 x 10-4 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.1 x 10-4 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Gukemura ibibazo | 1.4 x 10-4 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.3 x 10-4 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.4 x 10-4 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.3 x 10-4 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.1 x 10-3 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.8 x 10-3 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.4 x 10-4 g / L. | Amazi adafite amazi pH 6.97; Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 1.8 x 10-7 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.5 x 10-5 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.9 x 10-6 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.2 x 10-6 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.9 x 10-7 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.9 x 10-7 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.8 x 10-7 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.9 x 10-7 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.2 x 10-7 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.5 x 10-6 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 8.0 x 10-6 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.9 x 10-7 mol / L. | Amazi adafite amazi pH 6.97; Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 721.80 | ||
| pKa | 8.60 ± 0.40 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
| pKa | 3.87 ± 0.20 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
.
Ubucucike
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubucucike | 1.26 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
| Umubumbe wa Molar | 572.5 ± 7.0 cm3 / mol | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
.
Lipinski
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 15 | (1) ACD | |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| H Abakira | 12 | (1) ACD | |
| H Abaterankunga | 2 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 14 | (1) ACD | |
| logP | 6.093 ± 0.720 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 721.80 |
.
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubuso bwa polarike | 137 A2 | (1) ACD | |
.
Spectra irahari
1H NMR
13C NMR
| Kode | Amagambo ya Hazard | Inkomoko |
| H335 | Birashobora gutera uburakari | Ikigo cy’uburayi gishinzwe imiti (ECHA) Itondekanya & Ibarura ryamenyeshejwe - Kumenyeshwa ibyiciro no kumenyekanisha - kumenyeshwa cyane, Ikigo cy’Uburayi gishinzwe imiti (ECHA) Ibyiciro & Ibirango - Kumenyekanisha ibyiciro no gushyiramo ikimenyetso - kumenyesha bikomeye |
| H319 | Bitera uburakari bukabije bw'amaso | Ikigo cy’uburayi gishinzwe imiti (ECHA) Itondekanya & Ibarura ryamenyeshejwe - Kumenyeshwa ibyiciro no kumenyekanisha - kumenyeshwa cyane, Ikigo cy’Uburayi gishinzwe imiti (ECHA) Ibyiciro & Ibirango - Kumenyekanisha ibyiciro no gushyiramo ikimenyetso - kumenyesha bikomeye |
| H315 | Bitera kurwara uruhu | Ikigo cy’uburayi gishinzwe imiti (ECHA) Itondekanya & Ibarura ryamenyeshejwe - Kumenyeshwa ibyiciro no kumenyekanisha - kumenyeshwa cyane, Ikigo cy’Uburayi gishinzwe imiti (ECHA) Ibyiciro & Ibirango - Kumenyekanisha ibyiciro no gushyiramo ikimenyetso - kumenyesha bikomeye |
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