![C53H66N7O8PSI CAS non.: 104992-55-4 Adenosine, N-Benzoyl-V '-o- [bis (IV-methoxyphenl) Phenylmethyl] -2 - O- [(1,1 - [II-Cyanoethyl (III, - [1--Cyanoethyl, N, N-Bis (1-, Cyanoethyl (III, - [II-Cyanoethyl, N, Bis (1.- (1.1 (1.1 - [II-Cyanoethyl, n-[II-Cyanoethyl, n-Bis (II-Cyanoethyl, N, Bis (1- methylethyl) Phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C53H66N7O8PSI CAS non.: 104992-55-4 Adenosine, N-Benzoyl-V '-o- [bis (IV-methoxyphenl) Phenylmethyl] -2 - O- [(1,1 - [II-Cyanoethyl (III, - [1--Cyanoethyl, N, N-Bis (1-, Cyanoethyl (III, - [II-Cyanoethyl, N, Bis (1.- (1.1 (1.1 - [II-Cyanoethyl, n-[II-Cyanoethyl, n-Bis (II-Cyanoethyl, N, Bis (1- methylethyl) phosphoramidite] (ACI) Featured Image](https://cdn.globalso.com/nvchem/C53H66N7O8PSi.png)
C53H66N7O8PSI CAS non.: 104992-55-4 Adenosine, N-Benzoyl-V '-o- [bis (IV-methoxyphenl) Phenylmethyl] -2 - O- [(1,1 - [II-Cyanoethyl (III, - [1--Cyanoethyl, N, N-Bis (1-, Cyanoethyl (III, - [II-Cyanoethyl, N, Bis (1.- (1.1 (1.1 - [II-Cyanoethyl, n-[II-Cyanoethyl, n-Bis (II-Cyanoethyl, N, Bis (1- methylethyl) Phosphoramidite] (ACI)
Cas Subcriptio Number
104992-55-4
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 988,19 | - |
| Pka (praedicta) | 7.87 ± 0.43 | Most Acidic Temp: XXV ° C |
Canonica ridet
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1O[Si](C)(C)C(C)(C)C)COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7= Cc = c (c) C = C7) N (C (C) C) C (C) C
Isomeric smiles
C (O [C @@] I [C @@ H] (OP (N (c (C) C) [C. = C (= c4.) C4 c4 = N = CN3), (c5 = c = c (c) c C5), (C6 = c (c) C = C6) C7 = c = C7
INCHI
Inchi = 1s / c53h66n7o8psi / C1-36 (II) LX (XXXVII (III) IV) LXIX (65-32-18-31-54) 67-46-44 (33-64-53 (39-21-16-13-17-39,40 (39-21-16-13-17-39,40 (62-8) 28-24-40 ) 41-25-29-43 (63-9) 30-26-41) 66-51 (XLVII (XLVI) 68-70 (10-11) LII (5.6) VII) 59-35-57-45-48 (58-50 (LXI) 38-19-14-15-2088 / H1 2-17,19-30,34-37,446-47,51H, 18,32-33h2,1-11H3 (H, 55,56,58,61) / T44-, 46-, 47-, 51-, LXIX? / M1 / S1
Key Inchi
Ffxhncnhasxct, rfmfgjhusa, n
I aliud nomen huius substantiae
Adenosine,N-benzoyl, V '-O- [bis (IV-metoxyphen) Phenylmethyl] -2 '-O- [(1,1, Dimethylethyl) Dimethylll] -, III, - [II-Cyanoethyl bis (1. Methysylethyl) Phosphoramidite] (9CI)
Spectra praesto
Missa
Proprietatibus praesto
Biological
Proiectus
Lipinski
Structuram related
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | 5.50 x CV | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.00 X CVI | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.00 X CVI | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.00 X CVI | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.00 X CVI | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.00 X CVI | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.00 X CVI | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.00 X CVI | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.00 X CVI | PH IX; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.00 X CVI | PH X; Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Res | Valor | Conditio | Fons |
| Koc | (LXI) D | PH I; Temp: XXV ° C | (I) ACD |
| Koc | 1.64 x CVI | PH II; Temp: XXV ° C | (I) ACD |
| Koc | 1.00 X CVII | PH III; Temp: XXV ° C | (I) ACD |
| Koc | 1.00 X CVII | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | 1.00 X CVII | PH V; Temp: XXV ° C | (I) ACD |
| Koc | 1.00 X CVII | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | 1.00 X CVII | PH VII; Temp: XXV ° C | (I) ACD |
| Koc | 1.00 X CVII | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | 3,20 x CVI | PH IX; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Koc | 9.24 x CV | PH X; Temp: XXV ° C | (I) ACD |
| logd | 8.81 | PH I; Temp: XXV ° C | (I) ACD |
| logd | 10,24 | PH II; Temp: XXV ° C | (I) ACD |
| logd | 11.24 | PH III; Temp: XXV ° C | (I) ACD |
| logd | 11.73 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | 11.83 | PH V; Temp: XXV ° C | (I) ACD |
| logd | 11.83 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | 11.75 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | 11.31 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | 10.53 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | 9.99 | PH X; Temp: XXV ° C | (I) ACD |
| logp | 11,845 ± 0.715 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 10-5 X 10-5 g / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-3 g / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 G / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | 9.9 x 10-6 g / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-6 G / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-6 G / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-6 G / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-6 G / l | PH VII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 8.9 X 10-6 g / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 6.3 x 10-5 g / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | 4.2 x 10-4 g / l | PH X; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-6 G / l | Unbuffered aqua PH 7.00; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | X 10-8 Mol X / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-6 Mol X 3.5 / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-7 Mol X / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.0 X 10-8 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 3,4 x 10-9 Mol / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 2.7 x 10-9 Mol / l | PH V; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 2.7 x 10-9 Mol / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 3,2 x 10-9 Mol / l | PH VII; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Molaris solubility | 9.0 x 10-9 Mol / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6,4 x 10-8 Mol / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 4.2 x 10-7 Mol / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 3,2 x 10-9 Mol / l | Unbuffered aqua PH 7.00; Temp: XXV ° C | (I) ACD |
| Pondus | 988,19 | ||
| PKA | 7.87 ± 0.43 | Most Acidic Temp: XXV ° C | (I) ACD |
| PKA | 3.45 ± 0.70 | Maxime basic temp: XXV ° | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Res | Valor | Conditio | Fons |
| Sponte Rotatable vincula | 21 | (I) ACD | |
| H acceptors | 15 | (I) ACD | |
| H donos | 1 | (I) ACD | |
| H donator / Acceptor Sum | 16 | (I) ACD | |
| logp | 11,845 ± 0.715 | Temp: XXV ° C | (I) ACD |
| Pondus | 988,19 |
| Res | Valor | Source |
| Polar superficies regio | CLXXVIII A2 | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Provectus Chemia Development (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
I h NMR
XIII c NMR
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