![C47H51FN7O7P Adenosine, N-Benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-deoxy-2 ′ -fluoro-, 3 ′-[2-cyanoethyl n, n-bis (1-methylethyl) phosphor amidite] (aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C47H51FN7O7P adenosine, N-Benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-deoxy-2 ′ -fluoro-, 3 ′-[2-cyanoethyl n, n-bis (1-methylethyl) phosphor amidite] (aci) na itinampok ng imahe.](https://cdn.globalso.com/nvchem/C47H51FN7O7P-Adenosine.png)
C47H51FN7O7P Adenosine, N-Benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-deoxy-2 ′ -fluoro-, 3 ′-[2-cyanoethyl n, n-bis (1-methylethyl) phosphor amidite] (aci)
Numero ng rehistro ng CAS
136834-22-5
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 875.92 | - |
| pka (hinulaang) | 7.87 ± 0.43 | Karamihan sa acidic temp: 25 ° C. |
Canonical smiles
N#CCCOP (OC1C (F) C (OC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C (OC) C = C4) N5C = NC = 6C (= NC = NC65) NC (= O) C = 7C = CC = CC7) N (C) C) C) C
Ngumiti si Isomeric
C (OC [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (f) [c @@ h] (o1) n2c = 3c (n = c2) = c (nc (= o) c4 = cc = cc = c4) n = cn3) (c5 = cc = c (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
Inchi
Inchi = 1S/C47H51FN7O7P/C1-31 (2) 55 (32 (3) 4) 63 (60-27-13-26-49) 62-42-39 (61-46 (40 (42) 48) 54-30-52-41-43 (50-29-51-44 (41) 54) 53-45 (56 ) 33-14-9-7-10-15-33) 28-59-47 (34-16-11-8-12-17-34,35-18-22-37 (57-5) 23-19-35) 36-20-24-38 (58-6) 25-21-36/H7-12,14-25,29-32,39-40,4 2,46H, 13,27-28H2,1-6H3, (H, 50,51,53,56)/t39-, 40-, 42-, 46-, 63?/M1/S1
Inchi key
Vccmvpdslhfcbb-msirfhfksa-n
1 iba pang pangalan para sa sangkap na ito
Adenosine,N-Benzoyl -5 ′ -O-.
Magagamit ang mga pag -aari
Biological
Kemikal
Lipinski
May kaugnayan sa istraktura
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 6590 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.76 x 105 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.00 x 106 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.00 x 106 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.00 x 106 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.00 x 106 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.00 x 106 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.00 x 106 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 3.43 x 105 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 99100 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Pinagmulan ng Halaga ng Kondisyon ng Pag -aari |
| 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 |
| logd 7.71 pH 2; Temp: 25 ° C (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| 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 |
| Mass intrinsic solubility | 3.4 x 10-6 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.6 x 10-3 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.3 x 10-4 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.3 x 10-5 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.3 x 10-6 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.4 x 10-6 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.4 x 10-6 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.1 x 10-6 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.1 x 10-5 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 6.9 x 10-5 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.5 x 10-4 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.1 x 10-6 g/l | Hindi nabuong tubig pH 7.00; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 3.9 x 10-9 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.1 x 10-6 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.5 x 10-7 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.5 x 10-8 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.9 x 10-9 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.9 x 10-9 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.9 x 10-9 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.7 x 10-9 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.3 x 10-8 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 7.9 x 10-8 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.8 x 10-7 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Molar solubility | 4.7 x 10-9 mol/l | Hindi nabuong tubig pH 7.00; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 875.92 | ||
| PKA | 7.87 ± 0.43 | Karamihan sa acidic temp: 25 ° C. | (1) ACD |
| PKA | 3.45 ± 0.70 | Karamihan sa mga pangunahing temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Malayang rotatable bond | 18 | (1) ACD | |
| H Mga Tanggap | 14 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 15 | (1) ACD | |
| Logp | 9.317 ± 0.714 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 875.92 |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Mapagkukunan ng kondisyon |
| Polar Surface Area | 169 A2 | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
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