C41H49FNN5P Cytidine, N-Acetyl-5 '-o- "3-meotluyl) PhortHoryl] (1-methyleyl] (ACI)
Àireamh Clàrs Cas
159414-99-0
Prìomh thogalaichean corporra | Luach | Suidheachadh |
Cuideam molecular | 789.83 | - |
paka (ro-innse) | 10.11 ± 0.20 | Temp as searbhagach: 25 ° C. |
Smiles Canonical
N # CCCoP (OC1C (f) C (OC1Coc (C = CC = CC = C (CC = CC = CC = CC = c (c (c (c) c (C) C.
Gàire isomicic
C (OC [C @@] 1 [C @/ (C (CC (OC = C (OC = C (Oc) (C3 = cc = c (OC) C = C4) C5 = cc = cc = cc = c5
Inchi
Inchi = 1s / C41H49Fn5O8P / C1-27 (2-23-32 (44-29 (54-29 (46) 45-40) 49-52- 41 (30-12-8-10-30-30,31-33 (50-6) 19-15-313 (51-228,27-26H2,3-26H2,1-7H3, (H, 44,45,48,49) / T35-, 37-, 38-, 39-, 56? / S1
Iuchair Inchi
Cnfkzkzksrxnfl-utxremqhsA-n
1 ainm eile airson an stuth seo
Cytidine,N-Acetyl-5 '-O- [BIS (4-Neach-obrach) dha na Lienlmyl] -2 '-Doxy-2' -flouro-, 3-metheothyl) fosfthor] (9ci)
Spectra ri fhaighinn
Maise
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Structar co-cheangailte
Seilbh | Luach | Suidheachadh | Stòr |
Dà fhaclan bith-eòlasach | 8.60 | Ph 1; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 90.3 | Ph 2; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 3940 | Ph 3; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 39100 | Ph 4; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 64300 | Ph 5; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 68100 | Ph 6; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 68300 | Ph 7; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 66800 | Ph 8; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 54300 | Ph 9; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 19200 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Seilbh | Luach | Suidheachadh | Stòr |
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 |
Seilbh | Luach | Suidheachadh | Stòr |
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 |
Misneachd solbalileachd neo-ghnèitheach mòr | 4.5 x 10-5 g / l | Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 0.36 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 0.035 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 7.90 X 10-4 G / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 7.9 x 10-5 g / l | Ph 4; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.8 x 10-5 g / l | Ph 5; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.6 x 10-5 g / l | Ph 6; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.6 x 10-5 g / l | Ph 7; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 x 10-5 g / l | Ph 8; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 5.7 x 10-5 g / l | Ph 9; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.6 x 10-4 G / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.6 x 10-5 g / l | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
Solbalileachd neo-ghnèitheach 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 |
Seilbh | Luach | Suidheachadh | Stòr |
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. | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 789.83 | ||
paka | 10.11 ± 0.20 | Temp as searbhagach: 25 ° C. | (1) ACD |
paka | 3.57 ± 0.20 | Temp as bunaitiche: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Seilbh | Luach | Stòr cumhachd |
Raon uachdar pòla | 158 A2 | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)