C44H49N5O7SI Adenosine, N-Benzoyl-5'-O- [metroxypheyl) phenylmethyl] -2'- o - [(1,1-dimethylthyl) - (9ci, ACI)
Key Force Properties | Kukosha | Mamiriro |
Sreek inoremerwa | 787.98 | - |
Density (yakafanotaurwa) | 1.23 ± 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 = CN2C3OC (C5 = CC4 C (C) C (C) C (C) C) C) C) C = 7C = CCE.
Isomeric anonyemwerera
C (OC [C @ h] (c @ h] ([c @ h] (c) (c) c) C(=O)C4=CC=CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
Ichi
Inchi = 1S / c44h49n5o7si / c1-43 (2,3) 57 (6,7-37 (55) 35-42 (59 (55-27-47- 39 9) 26-5444 - (51-16-2523) 31-19-16-31) 32-16-24-34 (53-5) 25-21- Kristu)
40,46,48,51) / T35-, 37-, 48- / M1 / S1
Inchi kiyi
DazigoveraSnjpcj-Gnecsjiwsa-n
Mamwe mazita echinhu ichi
N-benzoyl-5'-ot- [bis (4-methyphenyl) phenylmethyl] -2'-o - [(1,1-dimethyl)) dimethysiilyl] Adeslielyl] Adenosinel] Adenosine (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI)). N6-benzoyl-5'-(o- (4'- dimethoxytrityl) -2'-(o- (tert-butlldimethysiilyl) adenosine
Spectra inowanikwa
1h Nmr
Hetero nmr
Zvivakwa zviripo |
Biological |
CHEMICAL |
Density |
Lipininski |
Chimiro chakabatana |
Biological
Chivakwa | Kukosha | Mamiriro | Kunobva |
Bioconentice Factor | 1.00 x 106 | ph 1; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.00 x 106 | Ph 2; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.00 x 106 | Ph 3; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.00 x 106 | Ph 4; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.00 x 106 | Ph 5; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.00 x 106 | Ph 6; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.00 x 106 | Ph7; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.00 x 106 | Ph:; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.00 x 106 | Ph 9; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 5.41 x 105 | Ph 10; Temp: 25 ° C | (1) ACD |
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CHEMICAL
Chivakwa | Kukosha | Mamiriro | Kunobva |
Koc | 2.01 x 106 | ph 1; Temp: 25 ° C | (1) ACD |
Koc | 6.87 x 106 | Ph 2; Temp: 25 ° C | (1) ACD |
Koc | 9.08 x 106 | Ph 3; Temp: 25 ° C | (1) ACD |
Koc | 9.38 x 106 | Ph 4; Temp: 25 ° C | (1) ACD |
Koc | 9.39 x 106 | Ph 5; Temp: 25 ° C | (1) ACD |
Koc | 9.19 x 106 | Ph 6; Temp: 25 ° C | (1) ACD |
Koc | 7.53 x 106 | Ph7; Temp: 25 ° C | (1) ACD |
Chivakwa | Kukosha | Mamiriro | Kunobva |
Koc | 2.73 x 106 | Ph:; Temp: 25 ° C | (1) ACD |
Koc | 4.48 x 105 | Ph 9; Temp: 25 ° C | (1) ACD |
Koc | 1.31 x 105 | Ph 10; Temp: 25 ° C | (1) ACD |
Logd | 9.62 | ph 1; Temp: 25 ° C | (1) ACD |
Logd | 10.15 | Ph 2; Temp: 25 ° C | (1) ACD |
Logd | 10.27 | Ph 3; Temp: 25 ° C | (1) ACD |
Logd | 10.29 | Ph 4; Temp: 25 ° C | (1) ACD |
Logd | 10.29 | Ph 5; Temp: 25 ° C | (1) ACD |
Logd | 10.28 | Ph 6; Temp: 25 ° C | (1) ACD |
Logd | 10.19 | Ph7; Temp: 25 ° C | (1) ACD |
Logd | 9.75 | Ph:; Temp: 25 ° C | (1) ACD |
Logd | 8.97 | Ph 9; Temp: 25 ° C | (1) ACD |
Logd | 8.43 | Ph 10; Temp: 25 ° C | (1) ACD |
logp | 10.291 × 0.708 | Temp: 25 ° C | (1) ACD |
Misa intrinsic solubility | 1.1 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
Misa Solubility | 4.8 x 10-6 g / l | ph 1; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.4 x 10-6 g / l | Ph 2; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.1 x 10-6 g / l | Ph 3; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.0 x 10-6 g / l | Ph 4; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.0 x 10-6 g / l | Ph 5; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.0 x 10-6 g / l | Ph 6; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.3 x 10-6 g / l | Ph7; Temp: 25 ° C | (1) ACD |
Misa Solubility | 3.5 x 10-6 g / l | Ph:; Temp: 25 ° C | (1) ACD |
Misa Solubility | 2.2 x 10-5 G / L | Ph 9; Temp: 25 ° C | (1) ACD |
Misa Solubility | 7.6 x 10-5 g / l | Ph 10; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.3 x 10-6 g / l | Mvura isina kuvharwa Ph 9 7.00; Temp: 25 ° C | (1) ACD |
Molar Intrinsic Solubility | 1.4 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
Moul solubility | 6.1 x 10-9 mol / l | ph 1; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.8 x 10-9 mol / l | Ph 2; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.4 x 10-9 mol / l | Ph 3; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.3 x 10-9 mol / l | Ph 4; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.3 x 10-9 mol / l | Ph 5; Temp: 25 ° C | (1) ACD |
Chivakwa | Kukosha | Mamiriro | Kunobva |
Moul solubility | 1.3 x 10-9 mol / l | Ph 6; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.6 x 10-9 mol / l | Ph7; Temp: 25 ° C | (1) ACD |
Moul solubility | 4.5 x 10-9 mol / l | Ph:; Temp: 25 ° C | (1) ACD |
Moul solubility | 2.8 x 10-8 mol / l | Ph 9; Temp: 25 ° C | (1) ACD |
Moul solubility | 9.6 x 10-8 mol / l | Ph 10; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.6 x 10-9 mol / l | Mvura isina kuvharwa Ph 9 7.00; Temp: 25 ° C | (1) ACD |
Sreek inoremerwa | 787.98 | ||
Pka | 7.87 × 0.43 | Yakawanda Acadic Temp: 25 ° C | (1) ACD |
Pka | 1.39 ± 0.10 | Yakanyanya kukosha temp: 25 ° C | (1) ACD |
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Density
Chivakwa | Kukosha | Mamiriro | Kunobva |
Density | 1.23 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Malal vhoriyamu | 639.5 ± 7.0 cm3 / mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
.
Lipininski
Chivakwa | Kukosha | Mamiriro | Kunobva |
Zvisikwa zvakasununguka zvinosununguka | 14 | (1) ACD | |
H Acceltors | 12 | (1) ACD | |
H Vanopa | 2 | (1) ACD | |
H Anopa / Mugamuchire Sum | 14 | (1) ACD | |
logp | 10.291 × 0.708 | Temp: 25 ° C | (1) ACD |
Sreek inoremerwa | 787.98 |
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Chimiro chakabatana
Chivakwa | Kukosha | Mamiriro | Kunobva |
Polar Pource Area | 139 A2 | (1) ACD |
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Spectra inowanikwa
1h Nmr
13c NMR