C47h51111fn7o7p Adénosine, N-Bavzoyl-5 -o- [BIS (4-Metryyphyl) (Achi)
CAT Nomer Pendaptaran
136834-22-5
| Sipat fisik konci | Nilai | Kaayaan |
| Beurat molekular | 875.92 | - |
| Pair (diprediksi) | 7,87 ± 0,43 | TEMP anu paling asam: 25 ° C |
Imut
N # cccop (oc1c (f) c (oc1coc (c = 2c = cc = cc = cc2) (c3) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c
Imutterik
C (OC [C @@ H] 1 [C @@ (OP (N (C (C) CC = CC = C2) (OC) c = c5) (c6 = cc = c (OC) c = c6) c7 = cc = c7
Atchi
Inchi = 1s / c471fn7o7o7p / C1-31 (2) 55 (32 (3) 63 (63) 63-45-49 (42-450-50 ) 33-14-9-7-10-15-33) 28-59-47 (34-16-11-8-17-34,35-18-32 (58-19-30 2,4-19-35,4 2,46H, 13,27-28h2,16h3, (H, 50.51,53,53,56) / T39-, 46-, M1 / M1 / M1 / M1 / M1 / M1 / M1 / M1 / M1 / M1 / M1 / M1 / M1 / M1 / M1 / M1 / S1
Konci inci
Vccmvpslfcbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbsa-n
1 ngaran sanés pikeun zat ieu
Adenosin,N-benzoyl-5 '-O- [Bis (4-metroxyphenyl) phenylmmetlly] -2 '-doxy-2, 3flooro-, 3' - [2-cyolethl) (9ci)
Sipat sayogi
Biologis
Kimia
Lipinski
Struktur patali
| Harta | Nilai | Kaayaan | Sumber |
| Faktor bioconcation | 6590 | pH 1; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1.76 x 105 | pH 2; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1,00 x 106 | pH 3; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1,00 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1,00 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1,00 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1,00 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1,00 x 106 | pH 8; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 3.43 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 99100 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
| Sumber kaayaan nilai harta |
| Koc 2590 pH 1; Temp: 25 ° C (1) acd |
| Koc 69100 PH 2; Temp: 25 ° C (1) acd |
| Koc 6,96 x 105 pH 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 |
| LogD 6.29 ph 1; Temp: 25 ° C (1) acd |
| Log 71 PH 2; Temp: 25 ° C (1) acd |
| Harta | Nilai | Kaayaan | Sumber |
| log As | 8.71 | pH 3; Temp: 25 ° C | (1) ACD |
| log As | 9.20 | pH 4; Temp: 25 ° C | (1) ACD |
| log As | 9.30 | pH 5; Temp: 25 ° C | (1) ACD |
| log As | 9.30 | pH 6; Temp: 25 ° C | (1) ACD |
| log As | 9.22 | pH 7; Temp: 25 ° C | (1) ACD |
| log As | 8.79 | pH 8; Temp: 25 ° C | (1) ACD |
| log As | 8.00 | pH 9; Temp: 25 ° C | (1) ACD |
| log As | 7.46 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 9.317 ± 0,714 | Temp: 25 ° C | (1) ACD |
| Kebar intrinsik massic | 3.4 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.6 x 10-3 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1,3 x 10-4 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1,3 x 10-5 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 4.3 x 10-6 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.4 x 10-6 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.4 x 10-6 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 4.1 x 10-6 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1,1 x 10 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 6,9 x 10-5 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 2,5 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 4.1 x 10-6 g / l | Cai pH 7,00; Temp: 25 ° C | (1) ACD |
| Kebar intrinsik molar | 3.9 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 4.1 x 10-6 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,5 x 10-7 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,5 x 10-8 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 4.9 x 10-9 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 3.9 x 10-9 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 3.9 x 10-9 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 4.7 x 10-9 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,3 x 10-8 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 7,9 x 10-8 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 2.8 x 10-7 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kahirupan molar | 4.7 x 10-9 mol / l | Cai pH 7,00; Temp: 25 ° C | (1) ACD |
| Beurat molekular | 875.92 | ||
| Pka | 7,87 ± 0,43 | TEMP anu paling asam: 25 ° C | (1) ACD |
| Pka | 3.45 ± 0,70 | Paling dasar temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
| Harta | Nilai | Kaayaan | Sumber |
| Beungkeut bébas rotét | 18 | (1) ACD | |
| H panarima | 14 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H donor / panarima | 15 | (1) ACD | |
| logp | 9.317 ± 0,714 | Temp: 25 ° C | (1) ACD |
| Beurat molekular | 875.92 |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
| Harta | Nilai | Sumber kaayaan |
| Daérah permukaan polar | 169 A2 | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
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