C47H51FN7O7O7PO7P ADENSINE, N - Beinnzoryl-5 '--furoo-, 3-methyleyl) Phosphoryl] (ACI)
Àireamh Clàrs Cas
136834-22-5
Prìomh thogalaichean corporra | Luach | Suidheachadh |
Cuideam molecular | 875.92 | - |
paka (ro-innse) | 7.87 ± 0.43 | Temp as searbhagach: 25 ° C. |
Smiles Canonical
N # cccop (OC1C (f) C (OC1Coc (CC = CC = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc7) n (c (c) c (c) c
Gàire isomicic
C (OC [C @@] 1 [C @/ (C (N = cc = cc = cc = cc = cc3) (cc = cc = c (OC) C = c5) (C6 = cc = c (OC) C = c6) C7 = cc = cc = cc = cc = cc = c
Inchi
Inchi = 1s / c47H51FN7O7P / C4-31 (2-27-41-2-41-2-41-2-44-44-44-44) 53-45 (56 (56 ) 33-14-9-7-10-15-33) 28-59-47 (34-11-34,2-37 (58-22,2-2,29-32,39-40 ,4 2,46H, 13,27-28mh2,2mh-2mh3, (H, 50,51,56-, 46-, 63? / S1
Iuchair Inchi
VCCMVPDSLHFBBBBBBBBBBBBBBBKFHFKSA-N.
1 ainm eile airson an stuth seo
Adenosine,N-benzoyl-5 '-O- [BIS (4-Neach-obrach) dha na Lienlmyl] -2 '-Doxy-2' -flouro-, 3-metheothyl) fosfthor] (9ci)
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Structar co-cheangailte
Seilbh | Luach | Suidheachadh | Stòr |
Dà fhaclan bith-eòlasach | 6590 | Ph 1; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.76 x 105 | Ph 2; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 3; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 4; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 5; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 6; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 7; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 8; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 3.43 X 105 | Ph 9; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 99100 | 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)
Stòr suidheachadh luach seilbh |
Koc 2590 PH 1; Temp: 25 ° C (1) ACD |
Koc 69100 PH 2; Temp: 25 ° C (1) ACD |
KOC 6.96 x 105 PhB 3; Temp: 25 ° C (1) ACD |
Koc 2.16 x 106 PH 4; Temp: 25 ° C (1) ACD |
Koc 2.70 x 106 PH 5; Temp: 25 ° C (1) ACD |
Koc 2.71 X 106 PH 6; Temp: 25 ° C (1) ACD |
Koc 2.23 x 106 PH 7; Temp: 25 ° C (1) ACD |
KOC 8.20 x 105 PH 8; Temp: 25 ° C (1) ACD |
Koc 1.35 x 105 PH 9; Temp: 25 ° C (1) ACD |
Koc 39000 PH 10; Temp: 25 ° C (1) ACD |
Log a-steach 6.29 PH 1; Temp: 25 ° C (1) ACD |
log 7.71 Ph. Temp: 25 ° C (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
logd | 8.71 | Ph 3; Temp: 25 ° C. | (1) ACD |
logd | 9.20 | Ph 4; Temp: 25 ° C. | (1) ACD |
logd | 9.30 | Ph 5; Temp: 25 ° C. | (1) ACD |
logd | 9.30 | Ph 6; Temp: 25 ° C. | (1) ACD |
logd | 9.22 | Ph 7; Temp: 25 ° C. | (1) ACD |
logd | 8.79 | Ph 8; Temp: 25 ° C. | (1) ACD |
logd | 8.00 | Ph 9; Temp: 25 ° C. | (1) ACD |
logd | 7.46 | Ph 10; Temp: 25 ° C. | (1) ACD |
logp | 9.317 ± 0.714 | Temp: 25 ° C. | (1) ACD |
Misneachd solbalileachd neo-ghnèitheach mòr | 3.4 X 10-6 G / L | Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.6 x 10-3 G / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.3 x 10-4 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.3 X 10-5 G / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.3 X 10-6 G / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.4 X 10-6 G / L | Ph 5; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.4 X 10-6 G / L | Ph 6; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.1 X 10-6 G / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.1 x 10-5 g / l | Ph 8; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 6.9 x 10-5 g / l | Ph 9; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 2.5 x 10-4 G / L | Ph 10; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.1 X 10-6 G / L. | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
Solbalileachd neo-ghnèitheach molar | 3.9 x 10-9 Mol / L. | Temp: 25 ° C. | (1) ACD |
Solubility molar | 4.1 X 10-6 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.5 x 10-7 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.5 x 10-8 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
Solubility molar | 4.9 x 10-9 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
Solubility molar | 3.9 x 10-9 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
Solubility molar | 3.9 x 10-9 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
Solubility molar | 4.7 x 10-9 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.3 x 10-8 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
Solubility molar | 7.9 x 10-8 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
Solubility molar | 2.8 x 10-7 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Solubility molar | 4.7 x 10-9 Mol / L. | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 875.92 | ||
paka | 7.87 ± 0.43 | Temp as searbhagach: 25 ° C. | (1) ACD |
paka | 3.45 ± 0.70 | 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 | Suidheachadh | Stòr |
Bannan gu tur ro-bheathaichte | 18 | (1) ACD | |
Hrrairean | 14 | (1) ACD | |
Hnors her | 1 | (1) ACD | |
H tabhartaiche / geurraiche suim | 15 | (1) ACD | |
logp | 9.317 ± 0.714 | Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 875.92 |
(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 | 169 A2 | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)