C41H49fn5o8p cytidine, n-acetyl-5 '-O- [bis (4-cyanemethyl n, n-bis (1' - [2-Cyanoethyl N, N-BIS) (ACI)
Nomer Registri CAS
159414-99-0
Properties fisik Key | Regane | Kondisi |
Bobot molekuler | 789.83 | - |
Pka (diprediksi) | 10.11 ± 0,20 | Temp paling asam: 25 ° C |
Mesem kanonik
N # cccop (oc1c (f) c (oc1coc (c = 2c = c4 = c3 = c3) c3 = c3 = c3 (c3 = c3) n (c) c) n (c) c) c (c) c
Mesem isomerat
C (OC [c @@@ h] 1 [c @@ h] (n (c) n = c) (oca) (oca) (oc) (c3 = c3 = c3) (c3 = c3) (c3 = c3) (c3 = c3) (c3 = c3) (c3 = c3) (c3 = c3) (c3 = c3) (c3 = c3) (OC) C = C4) C5 = CC = CC = C5
INCI
Kopi = 1s / c41h49fn5o8p / c1-27 (2) 47 (28 (286) 46-23) 52 (44-24-236) 49) 49) 49) 49) 26-52- 41 (30-12-9-8-10-13-30,31-19-18-33 (50-6) 19-15-31) 32-17-32 (51-32 / H8-10,12-222,35-277-1-7h3, (h, 44,45,48,49) / t35-, 37-, 38-, 39-, 56? / M1 / s1
Kunci inci
Cnfkjhkdsrxnfl-utxremqhsa-n
1 Jeneng liyane kanggo zat iki
Cytidine,N-acetyl-5 '-O- [bis (4-meteixyphenht) -2lmethyl] -2 '-dooxy-2' -fluoro-, 3 '- [2-Cyanoethyl BIS (1-Methylethyl) (9CI)
Spektrum kasedhiya
Massa
Properties kasedhiya
Biologis
Kimia
Lipinski
Struktur sing gegandhengan
Properti | Regane | Kondisi | Sumber |
Faktor biokentrasi | 8.60 | PH 1; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 90.3 | PH 2; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 3940 | PH 3; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 39100 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 64300 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 68100 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 68300 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 66800 | PH 8; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 54300 | PH 9; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 19200 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Properti | Regane | Kondisi | Sumber |
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 |
Properti | Regane | Kondisi | Sumber |
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 | 6.111 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 6.666 ± 0.764 | Temp: 25 ° C | (1) ACD |
Kelarutan Kelainan Intrinsik Massa | 4.5 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Kelarutan massa | 0.36 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 0,035 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 7.90 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 7.9 x 10-5 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.8 x 10-5 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.6 x 10-5 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.6 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.7 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 5.7 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1.6 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.6 x 10-5 g / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
Kelarutan Kelaresan Inttrinsik Molar | 5.7 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Kelarutan molar | 4.6 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 4.4 x 10-5 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.00 x 10-6 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.0 x 10-7 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 6.1 x 10-8 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.8 x 10-8 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.8 x 10-8 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.9 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Kelarutan molar | 7.2 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 2.0 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.8 x 10-8 mol / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
Bobot molekuler | 789.83 | ||
PKA | 10.11 ± 0,20 | Temp paling asam: 25 ° C | (1) ACD |
PKA | 3,57 ± 0,20 | Umume Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Properti | Regane | Sumber kahanan |
Area permukaan polar | 158 A2 | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)