![C53H66N7O8PSi CAS NO.: 104992-55-4 Adenosinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C53H66N7O8PSi CAS NO.: 104992-55-4 Adenosinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI) Imago Praecipua.](https://www.csnvchem.com/uploads/C53H66N7O8PSi.png)
C53H66N7O8PSi CAS NO.: 104992-55-4 Adenosinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)
Numerus Registri CAS
104992-55-4
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 988.19 | - |
| pKa (Praedictum) | 7.87±0.43 | Temperatura Acida Maxima: 25°C |
Subrisus Canonici
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(OC)C=C7)N(C(C)C)C(C)C
Subrisus Isomerici
C(OC[C@@H]¹[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](O[Si](C(C)(C)C)(C)C)[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/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-13-17-22-39,40-23-27-42(62-8)28-24-40 41-25-29-43 (63-9) 30-26-41) 66-51 (47(46) 68-70 (10,11) 52 (5,6) 7) 59-35-57-45-48 (55-34-56-49 (45) 59) 58-50 (61) 38-19-14-12-15-20-38/h1 2-17, 19-30, 34-37, 44, 46-47, 51H, 18, 32-33H2, 1-11H3, (H, 55, 56, 58, 61)/t 44-, 46-, 47-, 51-, 69?/m1/s1
Clavis InChI
FFXHNCNNHASXCT-RFMFGJHUSA-N
1 Aliud Nomen pro hac Substantia
AdenosinumN-benzoyl-5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- [(1,1-dimethylethyl)dimethylsilyl]-, 3'-[2-cyanoethyl bis(1-methylethyl)phosphoramiditum] (9CI)
Spectra praesto sunt
Missa
Proprietates praesto
Biologicus
Chemica
Lipinski
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 5.50 × 105 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.00 × 106 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.00 × 106 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.00 × 106 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.00 × 106 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.00 × 106 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.00 × 106 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.00 × 106 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.00 × 106 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.00 × 106 | pH 10; Temperatura: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Koc | 61500 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 1.64 × 106 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 1.00 × 107 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 1.00 × 107 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 1.00 × 107 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 1.00 × 107 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 1.00 × 107 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | 1.00 × 107 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 3.20 × 106 | pH 9; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Koc | 9.24 × 105 | pH 10; Temperatura: 25°C | (1) ACD |
| logD | 8.81 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | 10.24 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | 11.24 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 11.73 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 11.83 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 11.83 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 11.75 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 11.31 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 10.53 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 9.99 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 11.845±0.715 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 1.2 × 10⁻⁵ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.5 × 10⁻³ g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.1 × 10⁻⁴ g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 9.9 × 10⁻⁶ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.4 × 10⁻⁶ g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.7 × 10⁻⁶ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.7 × 10⁻⁶ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.2 × 10⁻⁶ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 8.9 × 10⁻⁶ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 6.3 × 10⁻⁵ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.2 × 10⁻⁴ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.2 × 10⁻⁶ g/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 1.2 × 10⁻⁸ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.5 × 10⁻⁶ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.1 × 10⁻⁷ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.0 × 10⁻⁸ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.4 × 10⁻⁹ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.7 × 10⁻⁹ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.7 × 10⁻⁹ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.2 × 10⁻⁹ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Molaris | 9.0 × 10⁻⁹ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 6.4 × 10⁻⁸ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.2 × 10⁻⁷ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.2 × 10⁻⁹ mol/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 988.19 | ||
| pKa | 7.87±0.43 | Temperatura Acida Maxima: 25°C | (1) ACD |
| pKa | 3.45±0.70 | Temperatura Maxima Fundamentalis: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Obligationes libere rotabiles | 21 | (1) ACD | |
| Acceptores H | 15 | (1) ACD | |
| Donatores H | 1 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 16 | (1) ACD | |
| logP | 11.845±0.715 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 988.19 |
| Possessio | Valor | Fons Conditionis |
| Area Superficialis Polaris | 178 A2 | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Programma Progressus Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra praesto sunt
1H NMR
13C NMR
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