C44H53FN7o8 Guanosine, 5 '-O- [BIS (4-Methoxyphenyl) Phenylmethyl] -2' -Dyl-1-Oxopropyl) -
Hejmara Registry
144089-97-4
Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
Giraniya molekul | 857.91 | - |
PKA (texmîn kirin) | 9.16 ± 0.20 | Temana herî acid: 25 ° C |
Hespên Canonîkî
N # cccop (oc1c (f) c (oc1coc (c = 2c = cc = cc2) (oc) c4 = c3) (c3) n (= o) c (c) c)
Isomeric bişirîn
C (OC [C @@ H] 1 [C @@ h] (OP (C (c) c) (c) c] (= o) n = c (nc (c) c) (c4 = cc = c (OC) C = C4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Inchi
Inchi = 1s / c44h53fn7o8p / c1-27 (2) 49-43 (41) 49-43 (45) 42-36 (45) 38 (28 (3) 4) 29 (5) 6) 35 (59-42) 25-57-44 (30-13-30-91-1-19-33 (55-31) 32-17-31) 32-17-21-34 (56-8) 22-18-32 / H9-11,13-22,26-29,35-36,38,42h, 12, 24-25h2,1-8h3, (H2,48,49,50,53,54) / T35-, 36-, 38-, 42-, 61? / M1 / S1
Keyeya Inchi
KjFUmxzzVymqEU-AoCjbpqjSA-n
1 navê din ji bo vê madeyê
Guanosine, 5 '-O- [BIS (4-Methoxyphenyl) Phenylmethyl] -2 '-Deoxy-2' -fluoro-N- (2-methyl-1-oxopropyl) -, 3 '- [2-cyanoethyl bis (1-methyl etyl) phosphoramidite] (9ci)
Taybetmendiyên berdest
Bedirî
Şîmyakî
Lipinski
Struktura têkildar
Mal | Giranî | Rewş | Kanî |
Faktora BioconCentration | 298 | PH 1; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 6350 | PH 2; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 57800 | PH 3; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.76 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 2.21 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 2.26 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 2.24 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 2.03 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.04 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 19300 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Çavkaniya rewşa nirxa xanî |
Koc 312 PH 1; Temp: 25 ° C (1) ACD |
Koc 6630 PH 2; Temp: 25 ° C (1) ACD |
Koc 60400 PH 3; Temp: 25 ° C (1) ACD |
Koc 1.84 x 105 PH 4; Temp: 25 ° C (1) ACD |
Koc 2.31 x 105 PH 5; Temp: 25 ° C (1) ACD |
Koc 2.37 x 105 PH 6; Temp: 25 ° C (1) ACD |
Koc 2.35 x 105 PH 7; Temp: 25 ° C (1) ACD |
Koc 2.12 x 105 PH 8; Temp: 25 ° C (1) ACD |
Koc 1.08 x 105 PH 9; Temp: 25 ° C (1) ACD |
Koc 20200 PH 10; Temp: 25 ° C (1) ACD |
Logd 4.47 PH 1; Temp: 25 ° C (1) ACD |
Logd 5.80 PH 2; Temp: 25 ° C (1) ACD |
Mal | Giranî | Rewş | Kanî |
logd | 6.76 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 7.24 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 7.34 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 7.35 | PH 6; Temp: 25 ° C | (1) ACD |
logd | 7.35 | PH 7; Temp: 25 ° C | (1) ACD |
logd | 7.30 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 7.01 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 6.28 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 7.351 ± 0.713 | Temp: 25 ° C | (1) ACD |
Solubilityê dorpêçkirî ya girseyî | 3.0 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Solubility girseyî | 0.022 G / L | PH 1; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 1.0 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 1.2 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.9 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.1 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.0 x 10-5 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.0 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.3 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 6.5 X 10-5 G / L | PH 9; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.5 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.0 x 10-5 g / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
Solubility ya hundurîn a molar | 3.5 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Solubility molar | 2.6 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Solubility molar | 1.2 x 10-6 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Solubility molar | 1.4 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Solubility molar | 4.5 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Solubility molar | 3.6 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Solubility molar | 3.5 x 10-8 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Solubility molar | 3.5 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Solubility molar | 3.9 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Solubility molar | 7.6 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Solubility molar | 4.1 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Mal | Giranî | Rewş | Kanî |
Solubility molar | 3.5 x 10-8 mol / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
Giraniya molekul | 857.91 | ||
pka | 9.16 ± 0.20 | Temana herî acid: 25 ° C | (1) ACD |
pka | 3.45 ± 0.70 | Temana herî bingehîn: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Mal | Giranî | Çavkaniya şertê |
Qada pola polar | 184 A2 | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Mal | Giranî | Rewş | Kanî |
Bonds rotatable ya azad | 18 | (1) ACD | |
H qebûlkar | 15 | (1) ACD | |
H Donors | 2 | (1) ACD | |
H Donor / Qedexe | 17 | (1) ACD | |
logp | 7.351 ± 0.713 | Temp: 25 ° C | (1) ACD |
Giraniya molekul | 857.91 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)