C41H4N3O9 CYTIDINE, N-Benzoyl-5'-O- [methyphenyl) phenylmethyl] -2'ciethyl- (9ci) H335, H319, H315
Key Force Properties | Kukosha | Mamiriro |
Sreek inoremerwa | 721.80 | - |
Inline point (kuyedza) | 107-110 ° C | - |
Density (yakafanotaurwa) | 1.26 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (akafanotaura) | 8.60 × 0.40 | Yakawanda Acadic Temp: 25 ° C |
Canonical Smiles O = C1N = C (NC (= O) CC = CC = CC = CC = C (CC = C (CC) C (OC) C (O) C (O) C3OCCOC) C
Isomeric anonyemwerera
C (OC [c @ h] 1o [c @ h] (c @ h] (c @ h]) C6 = CC = CC = C6
Ichi
Inchi = 1S / C41H43N3O9O9 / C1-27-25-44 (47 (47 (47) 43-11-38-38-8-01) 39-36) 34 (53-39) 26-52-41 (29-13
-9-6-10-16-36 (49-3) 20-16-30) 31-17-31-33 (50-31 /46h3 ,,46,47) / T44 3 5
Inchi kiyi
Bycluikfefah-lzurgkrnsa-n
Mamwe mazita echinhu ichi
N-Benzoyl-5'-O- [bis (4-methyphenyl) phenylmethyl] -2'-(2-methylcyl) (ACI); 10: PN: Wo03084478 Peji: 57 yaiti rna; 12: pn: US20030170636 Peji: 17 yaiti r na; 13: PN: US20030212017 Page: 19 yaiti r na; 14: PN: US20030
211606 Peji: 19 yakadaro r na; 15: PN: US20040005569 Peji: 22 inotaurwa r na; 16: PN: US20040006030 Peji: 22 inotaurwa r na; 16: PN: US20040014048 Peji: 20 yaiti r na; 17: PN: US20030171313 Peji: 9 yaiti r na; 17: PN: US20040005565 Peji: 17- 22 zvakataurwa Rna; 17: PN: US20040005570 Peji: 20 yaiti r na; 17: PN: US20040014047 Peji: 20 yaiti r na; 17: PN: US20040 014050 Peji: 20 yaiti r na; 18: PN: US20030198965 Peji: 19 yaiti r na; 18: PN: US20040014699 Peji: 20 yaiti r na; 19: PN: US20040006029 Peji: 23 vakati r na; 19: PN: Wo3106645 Peji: 71 yaiti r na; 59: PN: US20030166592 Peji: 15 yaiti rna; 6: PN: WO2005006958 Peji: 62 yaiti r na; 83: PN: US20040171566 Peji: 18 yaiti r na; 8: PN: WO2005007825
Peji: 62 yaiti r na; 90: PN: US20040005707 Peji: 20 yaiti r na; N4-BenzoYL-2'-O -To-MethyTHYL-5'-O-Dimethoxytrityl-5-
methylcytide
Zvivakwa zviripo |
Thermal |
Thermal
Chivakwa | Kukosha | Mamiriro | Kunobva |
Inonyungudika | 107-110 ° C | (1) CAT |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & nucleic acids, (2018), 37 (4), 232-247, CAPLUS
Spectra inowanikwa
1h Nmr
13c NMR
Zvivakwa zviripo |
Biological |
CHEMICAL |
Density |
Lipininski |
Chimiro chakabatana |
Biological
Chivakwa | Kukosha | Mamiriro | Kunobva |
Bioconentice Factor | 291 | ph 1; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 644 | Ph 2; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 3690 | Ph 3; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 15600 | Ph 4; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 23700 | Ph 5; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 24800 | Ph 6; Temp: 25 ° C | (1) ACD |
Chivakwa | Kukosha | Mamiriro | Kunobva |
Bioconentice Factor | 23300 | Ph7; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 14100 | Ph:; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 3010 | Ph 9; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 558 | Ph 10; Temp: 25 ° C | (1) ACD |
.
CHEMICAL
Chivakwa | Kukosha | Mamiriro | Kunobva |
Koc | 569 | ph 1; Temp: 25 ° C | (1) ACD |
Koc | 1260 | Ph 2; Temp: 25 ° C | (1) ACD |
Koc | 7210 | Ph 3; Temp: 25 ° C | (1) ACD |
Koc | 30400 | Ph 4; Temp: 25 ° C | (1) ACD |
Koc | 46300 | Ph 5; Temp: 25 ° C | (1) ACD |
Koc | 48500 | Ph 6; Temp: 25 ° C | (1) ACD |
Koc | 450000 | Ph7; Temp: 25 ° C | (1) ACD |
Koc | 27500 | Ph:; Temp: 25 ° C | (1) ACD |
Koc | 5890 | Ph 9; Temp: 25 ° C | (1) ACD |
Koc | 1090 | Ph 10; Temp: 25 ° C | (1) ACD |
Logd | 4.16 | ph 1; Temp: 25 ° C | (1) ACD |
Logd | 4.50 | Ph 2; Temp: 25 ° C | (1) ACD |
Logd | 5.26 | Ph 3; Temp: 25 ° C | (1) ACD |
Logd | 5.88 | Ph 4; Temp: 25 ° C | (1) ACD |
Logd | 6.07 | Ph 5; Temp: 25 ° C | (1) ACD |
Logd | 6.09 | Ph 6; Temp: 25 ° C | (1) ACD |
Logd | 6.06 | Ph7; Temp: 25 ° C | (1) ACD |
Logd | 5.84 | Ph:; Temp: 25 ° C | (1) ACD |
Logd | 5.17 | Ph 9; Temp: 25 ° C | (1) ACD |
Logd | 4.44 | Ph 10; Temp: 25 ° C | (1) ACD |
logp | 6.093 × 0.720 | Temp: 25 ° C | (1) ACD |
Misa intrinsic solubility | 1.3 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Misa Solubility | 0.011 g / l | ph 1; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.0 x 10-3 g / l | Ph 2; Temp: 25 ° C | (1) ACD |
Misa Solubility | 8.7 x 10-4 g / l | Ph 3; Temp: 25 ° C | (1) ACD |
Misa Solubility | 2.1 x 10-4 g / l | Ph 4; Temp: 25 ° C | (1) ACD |
Chivakwa | Kukosha | Mamiriro | Kunobva |
Misa Solubility | 1.4 x 10-4 g / l | Ph 5; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.3 x 10-4 g / l | Ph 6; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.4 x 10-4 g / l | Ph7; Temp: 25 ° C | (1) ACD |
Misa Solubility | 2.3 x 10-4 g / l | Ph:; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.1 x 10-3 g / l | Ph 9; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.8 x 10-3 g / l | Ph 10; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.4 x 10-4 g / l | Mvura isina kugadziriswa Ph 6.97; Temp: 25 ° C | (1) ACD |
Molar Intrinsic Solubility | 1.8 x 10-7 Mol / l | Temp: 25 ° C | (1) ACD |
Moul solubility | 1.5 x 10-5 mol / l | ph 1; Temp: 25 ° C | (1) ACD |
Moul solubility | 6.9 x 10-6 Mol / l | Ph 2; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.2 x 10-6 Mol / l | Ph 3; Temp: 25 ° C | (1) ACD |
Moul solubility | 2.9 x 10-7 Mol / l | Ph 4; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.9 x 10-7 Mol / l | Ph 5; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.8 x 10-7 Mol / l | Ph 6; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.9 x 10-7 Mol / l | Ph7; Temp: 25 ° C | (1) ACD |
Moul solubility | 3.2 x 10-7 Mol / l | Ph:; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.5 x 10-6 mol / l | Ph 9; Temp: 25 ° C | (1) ACD |
Moul solubility | 8.0 x 10-6 Mol / l | Ph 10; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.9 x 10-7 Mol / l | Mvura isina kugadziriswa Ph 6.97; Temp: 25 ° C | (1) ACD |
Sreek inoremerwa | 721.80 | ||
Pka | 8.60 × 0.40 | Yakawanda Acadic Temp: 25 ° C | (1) ACD |
Pka | 3.87 ± 0.20 | Yakanyanya kukosha temp: 25 ° C | (1) ACD |
.
Density
Chivakwa | Kukosha | Mamiriro | Kunobva |
Density | 1.26 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Malal vhoriyamu | 572.5 × 7.0 cm3 / mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
.
Lipininski
Chivakwa | Kukosha | Mamiriro | Kunobva |
Zvisikwa zvakasununguka zvinosununguka | 15 | (1) ACD |
Chivakwa | Kukosha | Mamiriro | Kunobva |
H Acceltors | 12 | (1) ACD | |
H Vanopa | 2 | (1) ACD | |
H Anopa / Mugamuchire Sum | 14 | (1) ACD | |
logp | 6.093 × 0.720 | Temp: 25 ° C | (1) ACD |
Sreek inoremerwa | 721.80 |
.
Chimiro chakabatana
Chivakwa | Kukosha | Mamiriro | Kunobva |
Polar Pource Area | 137 A2 | (1) ACD |
.
Spectra inowanikwa
1h Nmr
13c NMR
Kodhi | Thazard Chirevo | Kunobva |
H335 | Inogona kukonzera kutsamwisa kutsamwisa | European Chemical Agency (Echa) Kugadziriswa kweKugadziriswa - Kuziviswa Kwekutsikisa - Kuzivikanwa Kwemaketi |
H319 | Inokonzera zvakakomba ziso kutsamwisa | European Chemical Agency (Echa) Kugadziriswa kweKugadziriswa - Kuziviswa Kwekutsikisa - Kuzivikanwa Kwemaketi |
H315 | Inokonzeresa kushatirwa kweganda | European Chemical Agency (Echa) Kugadziriswa kweKugadziriswa - Kuziviswa Kwekutsikisa - Kuzivikanwa Kwemaketi |