C41H51S5O8SNI GUANASINE, 5'-O- [metroxyphenyl) phenylmethyl] -2'-dimethylthyl)-(2-methyl) - (9Chiwe)
Key Force Properties | Kukosha | Mamiriro |
Sreek inoremerwa | 769.96 | - |
Density (yakafanotaurwa) | 1.25 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (akafanotaura) | 9.16 ± 0.20 | Yakawanda Acadic Temp: 25 ° C |
Canonical Smiles O = C1N = C (NC (= O) C) NC2 = CC = C (CC = C (C) C (C) C3 (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C
Isomeric anonyemwerera
C (OC [C @ h] 1O @ h] (c @ h] =O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
Ichi
Inchi = 1S / C41H51N5O8SI / C1-25 (2) 36 (46) 44-3933-35-39) 42) 38-34 (8,9) 40 (53) 31 (53-34) 23-52 6-13-16-016-16-16-16-16-01) 20-16-27) 28-18-7 (51-27) 22-18-7) 22-18-7) 22-18-7) 22-18-22-35,31,33-34,38,449-9h3 ,,45,
48,49) / T31-, 33-, 34- / M1 / S1
Inchi kiyi
Jmcnkjfoijgyrg-Cjegosrcsa-n
1 rimwe zita rechinhu ichi
5 '-[Bis (4-methyphenyl) phenylmethyl] -2'-o - [(1,1-dimethylyl)-(2-methyl-1-quyopyl) guanosine (ACI)
Spectra inowanikwa
1h Nmr
13c NMR
Misa
Zvivakwa zviripo |
Biological |
CHEMICAL |
Density |
Lipininski |
Chimiro chakabatana |
Biological
Chivakwa | Kukosha | Mamiriro | Kunobva |
Bioconentice Factor | 1.38 x 105 | ph 1; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 3.53 x 105 | Ph 2; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 4.18 x 105 | Ph 3; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 4.26 x 105 | Ph 4; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 4.26 x 105 | Ph 5; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 4.26 x 105 | Ph 6; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 4.21 x 105 | Ph7; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 3.77 x 105 | Ph:; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.86 x 105 | Ph 9; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 33800 | Ph 10; Temp: 25 ° C | (1) ACD |
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CHEMICAL
Chivakwa | Kukosha | Mamiriro | Kunobva |
Koc | 1.21 x 105 | ph 1; Temp: 25 ° C | (1) ACD |
Koc | 3.08 x 105 | Ph 2; Temp: 25 ° C | (1) ACD |
Koc | 3.65 x 105 | Ph 3; Temp: 25 ° C | (1) ACD |
Koc | 3.72 x 105 | Ph 4; Temp: 25 ° C | (1) ACD |
Koc | 3.73 x 105 | Ph 5; Temp: 25 ° C | (1) ACD |
Koc | 3.72 x 105 | Ph 6; Temp: 25 ° C | (1) ACD |
Koc | 3.68 x 105 | Ph7; Temp: 25 ° C | (1) ACD |
Chivakwa | Kukosha | Mamiriro | Kunobva |
Koc | 3.30 x 105 | Ph:; Temp: 25 ° C | (1) ACD |
Koc | 1.62 x 105 | Ph 9; Temp: 25 ° C | (1) ACD |
Koc | 29600 | Ph 10; Temp: 25 ° C | (1) ACD |
Logd | 7.22 | ph 1; Temp: 25 ° C | (1) ACD |
Logd | 7.63 | Ph 2; Temp: 25 ° C | (1) ACD |
Logd | 7.70 | Ph 3; Temp: 25 ° C | (1) ACD |
Logd | 7.71 | Ph 4; Temp: 25 ° C | (1) ACD |
Logd | 7.71 | Ph 5; Temp: 25 ° C | (1) ACD |
Logd | 7.71 | Ph 6; Temp: 25 ° C | (1) ACD |
Logd | 7.70 | Ph7; Temp: 25 ° C | (1) ACD |
Logd | 7.66 | Ph:; Temp: 25 ° C | (1) ACD |
Logd | 7.35 | Ph 9; Temp: 25 ° C | (1) ACD |
Logd | 6.61 | Ph 10; Temp: 25 ° C | (1) ACD |
logp | 7.710 × 0.709 | Temp: 25 ° C | (1) ACD |
Misa intrinsic solubility | 2.7 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Misa Solubility | 8.5 x 10-5 G / L | ph 1; Temp: 25 ° C | (1) ACD |
Misa Solubility | 3.3 x 10-5 g / l | Ph 2; Temp: 25 ° C | (1) ACD |
Misa Solubility | 2.8 x 10-5 g / l | Ph 3; Temp: 25 ° C | (1) ACD |
Misa Solubility | 2.7 x 10-5 g / l | Ph 4; Temp: 25 ° C | (1) ACD |
Misa Solubility | 2.7 x 10-5 g / l | Ph 5; Temp: 25 ° C | (1) ACD |
Misa Solubility | 2.7 x 10-5 g / l | Ph 6; Temp: 25 ° C | (1) ACD |
Misa Solubility | 2.8 x 10-5 g / l | Ph7; Temp: 25 ° C | (1) ACD |
Misa Solubility | 3.1 x 10-5 G / L | Ph:; Temp: 25 ° C | (1) ACD |
Misa Solubility | 6.2 x 10-5 G / L | Ph 9; Temp: 25 ° C | (1) ACD |
Misa Solubility | 3.5 x 10-4 g / l | Ph 10; Temp: 25 ° C | (1) ACD |
Misa Solubility | 2.8 x 10-5 g / l | Mvura isina kuvharwa Ph 9 7.00; Temp: 25 ° C | (1) ACD |
Molar Intrinsic Solubility | 3.5 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Moul solubility | 1.1 x 10-7 Mol / l | ph 1; Temp: 25 ° C | (1) ACD |
Moul solubility | 4.3 x 10-8 mol / l | Ph 2; Temp: 25 ° C | (1) ACD |
Moul solubility | 3.6 x 10-8 mol / l | Ph 3; Temp: 25 ° C | (1) ACD |
Moul solubility | 3.5 x 10-8 mol / l | Ph 4; Temp: 25 ° C | (1) ACD |
Moul solubility | 3.5 x 10-8 mol / l | Ph 5; Temp: 25 ° C | (1) ACD |
Chivakwa | Kukosha | Mamiriro | Kunobva |
Moul solubility | 3.5 x 10-8 mol / l | Ph 6; Temp: 25 ° C | (1) ACD |
Moul solubility | 3.6 x 10-8 mol / l | Ph7; Temp: 25 ° C | (1) ACD |
Moul solubility | 4.0 x 10-8 mol / l | Ph:; Temp: 25 ° C | (1) ACD |
Moul solubility | 8.1 x 10-8 mol / l | Ph 9; Temp: 25 ° C | (1) ACD |
Moul solubility | 4.5 x 10-7 Mol / l | Ph 10; Temp: 25 ° C | (1) ACD |
Moul solubility | 3.6 x 10-8 mol / l | Mvura isina kuvharwa Ph 9 7.00; Temp: 25 ° C | (1) ACD |
Sreek inoremerwa | 769.96 | ||
Pka | 9.16 ± 0.20 | Yakawanda Acadic Temp: 25 ° C | (1) ACD |
Pka | 1.73 ± 0.10 | Yakanyanya kukosha temp: 25 ° C | (1) ACD |
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Density
Chivakwa | Kukosha | Mamiriro | Kunobva |
Density | 1.25 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Malal vhoriyamu | 615.5 × 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 | 13 | (1) ACD | |
H Vanopa | 3 | (1) ACD | |
H Anopa / Mugamuchire Sum | 16 | (1) ACD | |
logp | 7.710 × 0.709 | Temp: 25 ° C | (1) ACD |
Sreek inoremerwa | 769.96 |
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Chimiro chakabatana
Chivakwa | Kukosha | Mamiriro | Kunobva |
Polar Pource Area | 155 A2 | (1) ACD |
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Spectra inowanikwa
1h Nmr
13c NMR