![C47H51FN7O7P ANENOSINE, N-BENZOYL-5 ''-METHOXYPHENYL) PhenylmetHYL] -2 '- Deoxy-2' - [2-Methylethyl) Phosphor (1-methylethyl) fosfor amidite] (aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C47H51FN7O7P ANENOSINE, N-BENZOYL-5 ''- [METHOXYPHENY) fenylmethyl] -2' - Deoxy-2 '- [2-methylethyl) fosfor (1-metylethyl) fosfor amidite] (aci) featured image](https://cdn.globalso.com/nvchem/C47H51FN7O7P-Adenosine.png)
C47H51FN7O7P ANENOSINE, N-BENZOYL-5 ''-METHOXYPHENYL) PhenylmetHYL] -2 '- Deoxy-2' - [2-Methylethyl) Phosphor (1-methylethyl) fosfor amidite] (aci)
CAS Registry Number
136834-22-5
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 875.92 | - |
| PKA (foarsizze) | 7,87 ± 0.43 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes
N # cccop (oc1c (f) c (oc1coc (c = cc = cc = c (cv = c = c = c = c00 (= cc = c = c = cc = c = cc = c = CC7) n (c (c (c) c) c (c (c (c) c) c =
Isomeryske glimkes
C (oc [c @@ h] 1 [c @@ h] c) c (c (c (c) c) occ) [c @@) (o1) [n = c2) c4 = cc = c00) 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 (32-249-39) 62-42-39 (61-30-52-44 (50-29-51-44 (50-29-51-44 (50-29-51-44 (50-29-51-44 (50-29-51-44 (50-29-51-44 (50-29-51-44 (50-29-51-44 (50-29-51-44 (41) 54) 53-45 (56 ) 33-14-9-7-10-15-33) 28-59-47 (34-16-11-8-17-17-3-17-3-17-37 (57-35) 36-19-20-24-38 (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-, 66-, 46-, 63? / M1 / S1
Inchi-kaai
VCCMVPDSLHFCBB-MSIRFHFKSA-N
1 oare namme foar dizze substansje
Adenosine,N-benzoyl-5 '-O- [bis (4-methovyPhenyl) fenylmethyl] -2 '-dexy-2' - -fluoro-, 3 '- [2-Cyanethyl bis (1-methyleth) fosfor amidite] (9ci)
Eigenskippen beskikber
Biologysk
Gemysk
Lipinski
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| 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) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Eigendomwearde Boarne |
| 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 ple 10; Temp: 25 ° C (1) ACD |
| LOGD 6.29 MIS 1; Temp: 25 ° C (1) ACD |
| Logd 7.71 PH 2; Temp: 25 ° C (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| 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 |
| Massa intrinsike oplosmiddel | 3.4 x 10-6 g / L | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.6 x 10-3 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.3 x 10-4 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.3 x 10-5 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4.3 x 10-6 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.4 x 10-6 g / L | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.4 x 10-6 g / L | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4.1 x 10-6 g / L | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.1 x 10-5 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 6.9 x 10-5 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 2,5 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4.1 x 10-6 g / L | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 3,9 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 4.1 X 10-6 Mol / L | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,5 x 10-7 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,5 x 10-8 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 4.9 x 10-9 mol / L | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3,9 x 10-9 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3,9 x 10-9 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 4,7 x 10-9 Mol / L | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.3 x 10-8 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 7,9 x 10-8 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2,8 x 10-7 Mol / L | pH 10; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Milarlabiliteit | 4,7 x 10-9 Mol / L | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 875.92 | ||
| pka | 7,87 ± 0.43 | Meast Acidic Temp: 25 ° C | (1) ACD |
| pka | 3.45 ± 0,70 | Meast basic temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst | Boarne |
| Frij rotatbere bonnen | 18 | (1) ACD | |
| H akseptearders | 14 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / akseptearje SUM | 15 | (1) ACD | |
| Logp | 9.317 ± 0.714 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 875.92 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst boarne |
| Polar oerflak | 169 a2 | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
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