C48H54N7O808P Adenosine, N-Benzoyl-5 '-[Bis (4-metHmenyl) Phenylmethyl] -2' - Bis (1-Bis (1-methleTHYL)
CAS Registry Nhamba
110782-31-5-5
H335, H331, H319, H315, H311, H301 + H311 + H331, H301
Key Force Properties | Kukosha | Mamiriro |
Sreek inoremerwa | 887.96 | - |
PKA (akafanotaura) | 7.87 × 0.43 | Yakawanda Acadic Temp: 25 ° C |
Canonical smiles
N # CCCOP (OC1C (OC (N2C = NC = NC = CC = CC = CC = C (CC = 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) 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 C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
Ichi
Inchi = 1S / C48H54N7O8P / C1-32 (2) (35) 4) 63-49) 63- 37 (53) 544 6. 2-4,47h, 14,28-29h2,1-7h3, (h, 50,56) / T40-, 42- 4 47- 47 / m1 / s1
Inchi kiyi
Azcgotuyepxhmj-psvhyzmasa-n
Mamwe mazita echinhu ichi
Adenosine,N-Benzoyl-5 '-O- [Bis (4-methyphenyl) phenylmethyl] -2 '-O-methyl-, 3 '- [2-cyanoethyl bis (1-methyltyl) phosphoramidite] (9ci); 5 '-O- (4,4 '-Dimethoxytrityl) -n6-Benzoyl-2' -O-methyladenosine 3 '- (2-cyanoethylN,N-diisopropylamporororamidite)
Spectra inowanikwa
C NMR
Hetero nmr
Misa
Zvivakwa zviripo
Biological
CHEMICAL
Lipininski
Chimiro chakabatana
Chivakwa | Kukosha | Mamiriro | Kunobva |
Bioconentice Factor | 4050 | ph 1; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.08 x 105 | 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 | 2.10 x 105 | Ph 9; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 60800 | Ph 10; Temp: 25 ° C | (1) ACD |
.
Chivakwa | Kukosha | Mamiriro | Kunobva |
Koc | 1830 | ph 1; Temp: 25 ° C | (1) ACD |
Koc | 48700 | Ph 2; Temp: 25 ° C | (1) ACD |
Koc | 4.91 x 105 | Ph 3; Temp: 25 ° C | (1) ACD |
Koc | 1.52 x 106 | Ph 4; Temp: 25 ° C | (1) ACD |
Koc | 1.90 x 106 | Ph 5; Temp: 25 ° C | (1) ACD |
Koc | 1.91 x 106 | Ph 6; Temp: 25 ° C | (1) ACD |
Koc | 1.57 x 106 | Ph7; Temp: 25 ° C | (1) ACD |
Chivakwa | Kukosha | Mamiriro | Kunobva |
Koc | 5.78 x 105 | Ph:; Temp: 25 ° C | (1) ACD |
Koc | 95000 | Ph 9; Temp: 25 ° C | (1) ACD |
Koc | 27500 | Ph 10; Temp: 25 ° C | (1) ACD |
Logd | 6.01 | ph 1; Temp: 25 ° C | (1) ACD |
Logd | 7.43 | Ph 2; Temp: 25 ° C | (1) ACD |
Logd | 8.44 | Ph 3; Temp: 25 ° C | (1) ACD |
Logd | 8.93 | Ph 4; Temp: 25 ° C | (1) ACD |
Logd | 9.02 | Ph 5; Temp: 25 ° C | (1) ACD |
Logd | 9.02 | Ph 6; Temp: 25 ° C | (1) ACD |
Logd | 8.94 | Ph7; Temp: 25 ° C | (1) ACD |
Logd | 8.51 | Ph:; Temp: 25 ° C | (1) ACD |
Logd | 7.72 | Ph 9; Temp: 25 ° C | (1) ACD |
Logd | 7.18 | Ph 10; Temp: 25 ° C | (1) ACD |
logp | 9.038 ± 0.723 | Temp: 25 ° C | (1) ACD |
Misa intrinsic solubility | 1.4 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Misa Solubility | 0.014 G / L | ph 1; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.3 x 10-4 g / l | Ph 2; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.3 x 10-5 g / l | Ph 3; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.7 x 10-5 g / l | Ph 4; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.3 x 10-5 g / l | Ph 5; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.3 x 10-5 g / l | Ph 6; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.7 x 10-5 g / l | Ph7; Temp: 25 ° C | (1) ACD |
Misa Solubility | 4.5 x 10-5 G / L | Ph:; Temp: 25 ° C | (1) ACD |
Misa Solubility | 2.8 x 10-4 g / l | Ph 9; Temp: 25 ° C | (1) ACD |
Misa Solubility | 9.8 x 10-4 g / l | Ph 10; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.7 x 10-5 g / l | Isina kuvhurirwa mvura Ph 6.99; Temp: 25 ° C | (1) ACD |
Molar Intrinsic Solubility | 1.6 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Moul solubility | 1.6 x 10-5 mol / l | ph 1; Temp: 25 ° C | (1) ACD |
Moul solubility | 6.0 x 10-7 Mol / l | Ph 2; Temp: 25 ° C | (1) ACD |
Moul solubility | 6.0 x 10-8 mol / l | Ph 3; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.9 x 10-8 mol / l | Ph 4; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.5 x 10-8 mol / l | Ph 5; Temp: 25 ° C | (1) ACD |
Chivakwa | Kukosha | Mamiriro | Kunobva |
Moul solubility | 1.5 x 10-8 mol / l | Ph 6; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.9 x 10-8 mol / l | Ph7; Temp: 25 ° C | (1) ACD |
Moul solubility | 5.1 x 10-8 mol / l | Ph:; Temp: 25 ° C | (1) ACD |
Moul solubility | 3.1 x 10-7 Mol / l | Ph 9; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.1 x 10-6 Mol / l | Ph 10; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.9 x 10-8 mol / l | Isina kuvhurirwa mvura Ph 6.99; Temp: 25 ° C | (1) ACD |
Sreek inoremerwa | 887.96 | ||
Pka | 7.87 × 0.43 | Yakawanda Acadic Temp: 25 ° C | (1) ACD |
Pka | 3.45 × 0.70 | Yakanyanya kukosha temp: 25 ° C | (1) ACD |
.
Chivakwa | Kukosha | Mamiriro | Kunobva |
Zvisikwa zvakasununguka zvinosununguka | 19 | (1) ACD | |
H Acceltors | 15 | (1) ACD | |
H Vanopa | 1 | (1) ACD | |
H Anopa / Mugamuchire Sum | 16 | (1) ACD | |
logp | 9.038 ± 0.723 | Temp: 25 ° C | (1) ACD |
Sreek inoremerwa | 887.96 |
.
Chivakwa | Kukosha | Mamiriro ekunze |
Polar Pource Area | 178 A2 | (1) ACD |
.
Spectra inowanikwa
1 H NMR
C NMR
Kodhi | Thazard Chirevo | Kunobva |
H335 | Inogona kukonzera kutsamwisa kutsamwisa | Nyanzvi kuremerwa |
Kodhi | Thazard Chirevo | Kunobva |
H331 | Chepfu kana ichirira | Nyanzvi kuremerwa |
H319 | Inokonzera zvakakomba ziso kutsamwisa | Nyanzvi kuremerwa |
H315 | Inokonzeresa kushatirwa kweganda | Nyanzvi kuremerwa |
H311 | Chepfu mukubatana neganda | Nyanzvi kuremerwa |
H301 + H311 + H331 | Chepfu kana kumedzwa, mukubatana neganda kana yeganda | Nyanzvi kuremerwa |
H301 | Chepfu kana kumedzwa | Nyanzvi kuremerwa |