![C53H66n7o8psi Cas nr.: 104992-55-4 adenosine, N-benzoyl-5 '- [methroxilyl) - 5-metylylethyl n, n-bis (1- methyleth) fosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C53H66n7o8psi Cas nr.: 104992-55-4 adenosine, N-benzoyl-5 '- [methroxilyl) - 5-metylylethyl n, n-bis (1- methyleth) fosphoramidite] (ACI) featured ôfbylding](https://cdn.globalso.com/nvchem/C53H66N7O8PSi.png)
C53H66n7o8psi Cas nr.: 104992-55-4 adenosine, N-benzoyl-5 '- [methroxilyl) - 5-metylylethyl n, n-bis (1- methyleth) fosphoramidite] (ACI)
CAS Registry Number
104992-55-4
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 988.19 | - |
| PKA (foarsizze) | 7,87 ± 0.43 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes
N # CCCOP (OC1C (OC (N2C = NC = 3c (= nc = c = cc = cc = CC = CC = CC = CC = CC = C (OC) C = C6) C00 = Cc = c (oc) c = c00) n (c (c) c) c (c) c
Isomeryske glimkes
C (oc [c @@ h] 1 [c @@ h] c) c (c (c) c) occ) [c @@) (o [@ = c2) = c (nc (= o) c4 = cc = cc = c4) N = cn3) (c5 = cc = c (c5) (c6 = cc = c (oc) c = c6) c7 = cc = cc = c7
Inchi
Inchi = 1s / c53h66n7o8o8psi / c1-36 (2) 60 (37 (3) 4) 69 (65 (35-38-6 (33-64-53 (39-24-39,40-2-26-39-39-24.40-23-26-42 (62-8) 28-24-40 ) 41-25-24-43 (63-9) 30-26-6-61 (47 (46) 68-70 (10,11) 52 (5,6) 7) 59-35-57-49 (55-35-56-49 (45) 59) 58-50 (61) 38-19-14-12-15-20-38 / h1 2-17.19-30.34-37,46-47,46-67.51H, 18,32-33h2,1-11H3, (H, 55.56.58,61) / t44-, 46-, 47-, 51-, 69? / M1 / s1
Inchi-kaai
Ffxhncnnhasxct-rfmfgjhusa-n
1 oare namme foar dizze substansje
Adenosine,N-benzoyl-5 '-O- [bis (4-methovyPhenyl) fenylmethyl] -2 '-O- [(1,1-dimethylethyl) dimethylsilyl] -, 3 '- [2-Cyanetyl bis (1- methyleth) fosphoramidite] (9ci)
Spectra te krijen
Mis
Eigenskippen beskikber
Biologysk
Gemysk
Lipinski
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 5,50 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | 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 | 1,00 x 106 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst | Boarne |
| Koc | 61500 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 1.64 x 106 | pH 2; Temp: 25 ° C | (1) ACD |
| Koc | 1,00 x 107 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 1,00 x 107 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 1,00 x 107 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 1,00 x 107 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 1,00 x 107 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 1,00 x 107 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 3,20 x 106 | pH 9; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Koc | 9.24 x 105 | pH 10; Temp: 25 ° C | (1) ACD |
| Logd | 8.81 | pH 1; Temp: 25 ° C | (1) ACD |
| Logd | 10.24 | pH 2; Temp: 25 ° C | (1) ACD |
| Logd | 11.24 | pH 3; Temp: 25 ° C | (1) ACD |
| Logd | 11.73 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | 11.83 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | 11.83 | pH 6; Temp: 25 ° C | (1) ACD |
| Logd | 11.75 | pH 7; Temp: 25 ° C | (1) ACD |
| Logd | 11.31 | pH 8; Temp: 25 ° C | (1) ACD |
| Logd | 10.53 | pH 9; Temp: 25 ° C | (1) ACD |
| Logd | 9.99 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | 11,845 ± 0,715 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 1,2 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3,5 x 10-3 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.1 X 10-4 G / L | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-6 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.4 x 10-6 g / L | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 2,7 x 10-6 G / L | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 2,7 x 10-6 G / L | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.2 x 10-6 g / L | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 8,9 x 10-6 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 6.3 x 10-5 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4.2 x 10-4 G / L | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.2 x 10-6 g / L | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 1.2 X 10-8 Mol / L | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3,5 x 10-6 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.1 X 10-7 Mol / L | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.0 x 10-8 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3.4 x 10-9 Mol / L | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2,7 x 10-9 Mol / L | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2,7 x 10-9 Mol / L | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3.2 x 10-9 Mol / L | pH 7; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Milarlabiliteit | 9,0 x 10-9 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.4 x 10-8 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 4.2 x 10-7 Mol / L | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3.2 x 10-9 Mol / L | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 988.19 | ||
| 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 | 21 | (1) ACD | |
| H akseptearders | 15 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / akseptearje SUM | 16 | (1) ACD | |
| Logp | 11,845 ± 0,715 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 988.19 |
| Besit | Wearde | Betingst boarne |
| Polar oerflak | 178 A2 | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Avansearre Chemistry Untjouwing (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1 h nmr
13 C NMR
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