![C41H49FN5O8P Cytidine, N-Acetyl-5 '' - [MetHOXYPHENY) fenylmethyl] -2 '- Deoxy-2' - [2-Methylethyl) fosfor (aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H49FN5O8P Cytidine, N-Acetyl-5 '' - [MetHOXYPHENYL) PhenylmetHyl] -2 '- Deoxy-2' - [2-methylethyl) Phosphor Amidite] (ACI) Featured ôfbylding](https://cdn.globalso.com/nvchem/C41H49FN5O8P-Cytidine.png)
C41H49FN5O8P Cytidine, N-Acetyl-5 '' - [MetHOXYPHENY) fenylmethyl] -2 '- Deoxy-2' - [2-Methylethyl) fosfor (aci)
CAS Registry Number
159414-99-0
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 789.83 | - |
| PKA (foarsizze) | 10.11 ± 0,20 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes
N # cccop (oc1c (f) c (oc1coc (c = 2c = cc = c (cc = c = c = c = c = c = c = c = c = c = cc (= o) c) nc (= o) c) n (c (c) c) c (c (c) c) c = cc (= o) c)
Isomeryske glimkes
C (oc [c @@ h] 1 [c @@ h] c) c (c (c (c) c) occ) [c @@) (= c2) = c = c *) (c3 = c (c3) c = c = c = c = c = c) (c4 = cc = c (OC) c = c4) c5 = cc = cc = c5
Inchi
Inchi = 1s / c41h49fn5o8p / c1-27 (2) 47 (28 (3 (28 (3) 4) 56 (53-35 (37) 42) 46-24 (5) 48) 45-40 (46) 49) 26-52- 41 (30-12-9-8-16-8-13.31-14-18-33 (50-6) 19-15-31) 32-16-31) 32-16-32 / H8-10,12-22,24,27-22,24,27-22,24,27-28,72,27-24,35,37.1, 11,25-26H2,1-7h3, (h, 44,45.48,49) / T35-, 37-, 38-, 39-, 56? / M1 / S1
Inchi-kaai
CnfkjhkdsRxnfl-utxremqhsa-n
1 oare namme foar dizze substansje
Cytidine,N-Cetyl-5 '-O- [bis (4-methovyPhenyl) fenylmethyl] -2 '-dexy-2' - -fluoro-, 3 '- [2-Cyanethyl bis (1-methyleth) fosfor amidite] (9ci)
Spectra te krijen
Mis
Eigenskippen beskikber
Biologysk
Gemysk
Lipinski
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 8,60 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 90.3 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 3940 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 39100 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 64300 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 68100 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 68300 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 66800 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 54300 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 19200 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst | Boarne |
| 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 |
| Besit | Wearde | Betingst | Boarne |
| 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 | 6.11 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | 6.666 ± 0.764 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 4,5 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.36 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0,035 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 7,90 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 7,9 x 10-5 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,8 x 10-5 G / L | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4.6 x 10-5 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4.6 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 x 10-5 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,7 x 10-5 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.6 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4.6 x 10-5 g / l | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 5,7 x 10-8 Mol / L | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 4.6 x 10-4 Mol / L | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 4,4 x 10-5 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,00 x 10-6 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.0 x 10-7 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.1 X 10-8 Mol / L | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 5,8 x 10-8 Mol / L | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 5,8 x 10-8 Mol / L | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 5,9 x 10-8 Mol / L | pH 8; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Milarlabiliteit | 7,2 x 10-8 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.0 x 10-7 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 5,8 x 10-8 Mol / L | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 789.83 | ||
| pka | 10.11 ± 0,20 | Meast Acidic Temp: 25 ° C | (1) ACD |
| pka | 3.57 ± 0.20 | Meast basic temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst boarne |
| Polar oerflak | 158 A2 | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
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