C41H41N5O8 Adenosine, N-Benzoyl-5'-O- [metroxyphenyl) phenylmethyl] -2'- O- (2-(methythyl) - (9ci)
Key Force Properties | Kukosha | Mamiriro |
Sreek inoremerwa | 731.79 | - |
Inline point (kuyedza) | 119-121 ° C | - |
Density (yakafanotaurwa) | 1.31 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (akafanotaura) | 7.87 × 0.43 | Yakawanda Acadic Temp: 25 ° C |
Canonical Smiles O = C (NC1 = NC2 = CN2C = CC = C (CC = C (CCO) C (O) C3CCOC) C = 7C = CCCOC = CC = CCCO
Isomeric anonyemwerera
C (oc [c @ h]
= C6) C7 = CC = CC = C7
Ichi
Inchi = 1S / C41H41N5O8 / C1-49-25-35 (54-40 (36) 46-26-44-343-34) 45-39 41 (28-12-8-9-9-16-18- 39-16-9) 19-16-39) 30-16-30 (51-3) 21-17-36)
Inchi kiyi
KevmXGNTKPSMC-Mumpvvma-n
Mamwe mazita echinhu ichi
N-Benzoyl-5'-O- [bis (4-methyphenyl) phenylmethyl] -2'-(2-(2-methyl) adenosine (ACI); 17: PN: US20030211606 Peji: 19 Yakataurwa; 18: PN: US20040005569 Peji: 22 inoteedzerwa; 20: PN: US20040006030 Peji: 23 zvakatevedzana; 20: PN: US20040014047 Peji: 21 inotevedzera; 20: PN: US20040014049 Peji: 21 inotaura nhevhi; 21: PN: US20040005570 Pag
E: 20 zvakataurwa zvinoteedzerwa; 21: PN: US20040014048 Peji: 21 Yakatevedzana; 21: PN: US20040014050 Peji: 20 inotaura kutevedzana; 22: PN: US20040005565 Peji: 17- 22 Zvakanzi zvinoteedzerwa; 22: PN: US20040014051 Peji: 23 zvakatevedzana; 23: PN: US20040 014699 Peji: 20 inotaura nhevedzeka; 24: PN: US20040006029 Peji: 23 zvakatevedzana; 24: PN: Wo3106645 Peji: 73 inotaura zvinoteedzerwa; 5'-dimethoxytrityl-2'-O- (2-methyl) -n6-benzoyl adenosine; 95: PN: US20040005707 Peji: 20 inotaura kutevedzana
Zvivakwa zviripo |
Thermal |
Thermal
Chivakwa | Kukosha | Mamiriro | Kunobva |
Inonyungudika | 119-121 ° 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 | 31700 | ph 1; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.08 x 105 | Ph 2; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.43 x 105 | Ph 3; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.48 x 105 | Ph 4; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.48 x 105 | Ph 5; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.45 x 105 | Ph 6; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.19 x 105 | Ph7; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 43000 | Ph:; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 7050 | Ph 9; Temp: 25 ° C | (1) ACD |
Chivakwa | Kukosha | Mamiriro | Kunobva |
Bioconentice Factor | 2060 | Ph 10; Temp: 25 ° C | (1) ACD |
.
CHEMICAL
Chivakwa | Kukosha | Mamiriro | Kunobva |
Koc | 37400 | ph 1; Temp: 25 ° C | (1) ACD |
Koc | 1.28 x 105 | Ph 2; Temp: 25 ° C | (1) ACD |
Koc | 1.69 x 105 | Ph 3; Temp: 25 ° C | (1) ACD |
Koc | 1.74 x 105 | Ph 4; Temp: 25 ° C | (1) ACD |
Koc | 1.74 x 105 | Ph 5; Temp: 25 ° C | (1) ACD |
Koc | 1.71 x 105 | Ph 6; Temp: 25 ° C | (1) ACD |
Koc | 1.40 x 105 | Ph7; Temp: 25 ° C | (1) ACD |
Koc | 50700 | Ph:; Temp: 25 ° C | (1) ACD |
Koc | 8320 | Ph 9; Temp: 25 ° C | (1) ACD |
Koc | 2430 | Ph 10; Temp: 25 ° C | (1) ACD |
Logd | 6.44 | ph 1; Temp: 25 ° C | (1) ACD |
Logd | 6.97 | Ph 2; Temp: 25 ° C | (1) ACD |
Logd | 7.09 | Ph 3; Temp: 25 ° C | (1) ACD |
Logd | 7.11 | Ph 4; Temp: 25 ° C | (1) ACD |
Logd | 7.11 | Ph 5; Temp: 25 ° C | (1) ACD |
Logd | 7.10 | Ph 6; Temp: 25 ° C | (1) ACD |
Logd | 7.01 | Ph7; Temp: 25 ° C | (1) ACD |
Logd | 6.57 | Ph:; Temp: 25 ° C | (1) ACD |
Logd | 5.78 | Ph 9; Temp: 25 ° C | (1) ACD |
Logd | 5.25 | Ph 10; Temp: 25 ° C | (1) ACD |
logp | 7.109 ± 0.766 | Temp: 25 ° C | (1) ACD |
Misa intrinsic solubility | 5.6 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
Misa Solubility | 2.6 x 10-5 g / l | ph 1; Temp: 25 ° C | (1) ACD |
Misa Solubility | 7.3 x 10-6 g / l | Ph 2; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.8 x 10-6 g / l | Ph 3; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.6 x 10-6 g / l | Ph 4; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.6 x 10-6 g / l | Ph 5; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.7 x 10-6 g / l | Ph 6; Temp: 25 ° C | (1) ACD |
Misa Solubility | 7.0 x 10-6 g / l | Ph7; Temp: 25 ° C | (1) ACD |
Chivakwa | Kukosha | Mamiriro | Kunobva |
Misa Solubility | 1.9 X 10-5 G / L | Ph:; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.2 x 10-4 g / l | Ph 9; Temp: 25 ° C | (1) ACD |
Misa Solubility | 4.0 x 10-4 g / l | Ph 10; Temp: 25 ° C | (1) ACD |
Misa Solubility | 7.0 x 10-6 g / l | Mvura isina kuvharwa Ph 9 7.00; Temp: 25 ° C | (1) ACD |
Molar Intrinsic Solubility | 7.6 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
Moul solubility | 3.6 x 10-8 mol / l | ph 1; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.0 x 10-8 mol / l | Ph 2; Temp: 25 ° C | (1) ACD |
Moul solubility | 7.9 x 10-9 mol / l | Ph 3; Temp: 25 ° C | (1) ACD |
Moul solubility | 7.7 x 10-9 mol / l | Ph 4; Temp: 25 ° C | (1) ACD |
Moul solubility | 7.7 x 10-9 mol / l | Ph 5; Temp: 25 ° C | (1) ACD |
Moul solubility | 7.8 x 10-9 mol / l | Ph 6; Temp: 25 ° C | (1) ACD |
Moul solubility | 9.6 x 10-9 mol / l | Ph7; Temp: 25 ° C | (1) ACD |
Moul solubility | 2.6 x 10-8 mol / l | Ph:; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.6 x 10-7 Mol / l | Ph 9; Temp: 25 ° C | (1) ACD |
Moul solubility | 5.5 x 10-7 Mol / l | Ph 10; Temp: 25 ° C | (1) ACD |
Moul solubility | 9.5 x 10-9 Mol / l | Mvura isina kuvharwa Ph 9 7.00; Temp: 25 ° C | (1) ACD |
Sreek inoremerwa | 731.79 | ||
Pka | 7.87 × 0.43 | Yakawanda Acadic Temp: 25 ° C | (1) ACD |
Pka | 1.39 ± 0.10 | Yakanyanya kukosha temp: 25 ° C | (1) ACD |
.
Density
Chivakwa | Kukosha | Mamiriro | Kunobva |
Density | 1.31 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Malal vhoriyamu | 558.9 × 7.0 cm3 / mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
.
Lipininski
Chivakwa | Kukosha | Mamiriro | Kunobva |
Zvisikwa zvakasununguka zvinosununguka | 15 | (1) ACD | |
H Acceltors | 13 | (1) ACD | |
H Vanopa | 2 | (1) ACD | |
H Anopa / Mugamuchire Sum | 15 | (1) ACD | |
Chivakwa | Kukosha | Mamiriro | Kunobva |
logp | 7.109 ± 0.766 | Temp: 25 ° C | (1) ACD |
Sreek inoremerwa | 731.79 |
.
Chimiro chakabatana
Chivakwa | Kukosha | Mamiriro | Kunobva |
Polar Pource Area | 148 A2 | (1) ACD |
.
Spectra inowanikwa
1h Nmr
13c NMR