C41h49fn5o8p cytidine, n-acetyl-5 '-o- [4-metoxyphyl] -2' - Deoxyphyl] -2 '- DeoxyPhyl] -2' - [2-cyanoethl n, n-biso (1-methylethyl) phosphor amidite] (ACI)
Hejmara Registry
159414-99-0
Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
Giraniya molekul | 789.83 | - |
PKA (texmîn kirin) | 10.11 ± 0.20 | Temana herî acid: 25 ° C |
Hespên Canonîkî
N # cccop (oc1c (f) c (oc1coc (c = 2c = cc = cc2) (oc) c3 = c4) n5 (= o) c) n (c (c) c) c (c) c
Isomeric bişirîn
C (oc [c @@ h]) (Op (c (c) c) (c) c) ((c) n = c) [c3 = cc = c = c3) (c4 = cc = c (OC) C = C4) C5 = cc = cc = C5
Inchi
Inchi = 1s / c41h49fn5o8p / c1-27 (2) 47 (53-25-11-23-43) 55-38-35 (54-39 (38) 42) 46-24 (5) 48) 45-40 (46) 49) 26-52- 41 (30-12-9-31-14-18-33 (50-6) 19-15-131) 32-16-20-34 (51-7) 21-17-32 / H8-10,12-22,247-39h, 11,25-26h2,1-7h3, (h, 44,45,48,49) / T35-, 37-, 38-, 39-, 56? / M1 / S1
Keyeya Inchi
CnfkjhkdsrxnfL-utxReMQhSa-n
1 navê din ji bo vê madeyê
Cytidine,N-Acetyl-5 '-O- [BIS (4-metoxyphenyl) Phenylmethyl] -2 '-Dooxy-2' -fluoro-, 3 '- [2-cyanoethll Bis (1-methylethyl) Phosphor Amidite] (9ci)
Spectra peyda dibe
Gel
Taybetmendiyên berdest
Bedirî
Şîmyakî
Lipinski
Struktura têkildar
Mal | Giranî | Rewş | Kanî |
Faktora BioconCentration | 8.60 | PH 1; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 90.3 | PH 2; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 3940 | PH 3; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 39100 | PH 4; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 64300 | PH 5; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 68100 | PH 6; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 68300 | PH 7; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 66800 | PH 8; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 54300 | PH 9; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 19200 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Mal | Giranî | Rewş | Kanî |
Koc | 12.6 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 133 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 5790 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 57400 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 94500 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 1.00 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 1.00 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 98200 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 79700 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 28200 | PH 10; Temp: 25 ° C | (1) ACD |
Mal | Giranî | Rewş | Kanî |
logd | 2.76 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 3.79 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 5.43 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 6.42 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 6.64 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 6.66 | PH 6; Temp: 25 ° C | (1) ACD |
logd | 6.66 | PH 7; Temp: 25 ° C | (1) ACD |
logd | 6.65 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 6.56 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 6. | PH 10; Temp: 25 ° C | (1) ACD |
logp | 6.666 ± 0.764 | Temp: 25 ° C | (1) ACD |
Solubilityê dorpêçkirî ya girseyî | 4.5 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Solubility girseyî | 0.36 G / L | PH 1; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 0.035 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 7.90 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 7.9 x 10-5 G / L | PH 4; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 4.8 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 4.6 x 10-5 G / L | PH 6; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 4.6 x 10-5 G / L | PH 7; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 4.7 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 5.7 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 1.6 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 4.6 x 10-5 G / L | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
Solubility ya hundurîn a molar | 5.7 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Solubility molar | 4.6 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Solubility molar | 4.4 x 10-5 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Solubility molar | 1.00 x 10-6 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Solubility molar | 1.0 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Solubility molar | 6.1 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.8 x 10-8 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.8 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.9 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Mal | Giranî | Rewş | Kanî |
Solubility molar | 7.2 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Solubility molar | 2.0 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.8 x 10-8 mol / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
Giraniya molekul | 789.83 | ||
pka | 10.11 ± 0.20 | Temana herî acid: 25 ° C | (1) ACD |
pka | 3.57 ± 0.20 | 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 | 158 A2 | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)