![C47H51FN7O7P Adenosinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C47H51FN7O7P Adenosinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI) Imago Praecipua](https://www.csnvchem.com/uploads/C47H51FN7O7P-Adenosine.png)
C47H51FN7O7P Adenosinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)
Numerus Registri CAS
136834-22-5
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 875.92 | - |
| pKa (Praedictum) | 7.87±0.43 | Temperatura Acida Maxima: 25°C |
Subrisus Canonici
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(C)C
Subrisus Isomerici
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
Clavis InChI
VCCMVPDSLHFCBB-MSIRFHFKSA-N
1 Aliud Nomen pro hac Substantia
AdenosinumN-benzoyl-5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-, 3′-[2-cyanoethyl bis(1-methylethyl)phosphoramiditum] (9CI)
Proprietates praesto
Biologicus
Chemica
Lipinski
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 6590 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.76 × 105 | 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 | 3.43 × 105 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 99100 | pH 10; Temperatura: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Fons Conditionis Valoris Proprietatis |
| Koc 2590 pH 1; Temperatura: 25°C (1) ACD |
| Koc 69100 pH 2; Temperatura: 25°C (1) ACD |
| Koc 6.96 × 10⁵ pH 3; Temperatura: 25°C (1) ACD |
| Koc 2.16 × 10⁶ pH 4; Temperatura: 25°C (1) ACD |
| Koc 2.70 × 10⁶ pH 5; Temperatura: 25°C (1) ACD |
| Koc 2.71 × 10⁶ pH 6; Temperatura: 25°C (1) ACD |
| Koc 2.23 × 10⁶ pH 7; Temperatura: 25°C (1) ACD |
| Koc 8.20 × 10⁵ pH 8; Temperatura: 25°C (1) ACD |
| Koc 1.35 × 10⁵ pH 9; Temperatura: 25°C (1) ACD |
| Koc 39000 pH 10; Temperatura: 25°C (1) ACD |
| logD 6.29 pH 1; Temperatura: 25°C (1) ACD |
| logD 7.71 pH 2; Temperatura: 25°C (1) ACD |
| Possessio | Valor | Conditio | Fons |
| logD | 8.71 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 9.20 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 9.30 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 9.30 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 9.22 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 8.79 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | VIII.00 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 7.46 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 9.317±0.714 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 3.4 × 10⁻⁶ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.6 × 10⁻³ g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.3 × 10⁻⁴ g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.3 × 10⁻⁵ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.3 × 10⁻⁶ g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.4 × 10⁻⁶ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.4 × 10⁻⁶ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.1 × 10⁻⁶ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.1 x 10⁻⁵ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 6.9 × 10⁻⁵ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.5 × 10⁻⁴ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.1 × 10⁻⁶ g/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 3.9 × 10⁻⁹ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.1 × 10⁻⁶ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.5 × 10⁻⁷ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.5 × 10⁻⁸ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.9 × 10⁻⁹ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.9 × 10⁻⁹ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.9 × 10⁻⁹ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.7 × 10⁻⁹ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.3 × 10⁻⁸ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 7.9 × 10⁻⁸ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.8 × 10⁻⁷ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Molaris | 4.7 × 10⁻⁹ mol/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 875.92 | ||
| 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 | 18 | (1) ACD | |
| Acceptores H | 14 | (1) ACD | |
| Donatores H | 1 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 15 | (1) ACD | |
| logP | 9.317±0.714 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 875.92 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Fons Conditionis |
| Area Superficialis Polaris | 169 A2 | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
![C42H52N5O9P Cytidinum, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](https://www.csnvchem.com/uploads/C42H52N5O9P-Cytidine-300x300.png)
![C43H55N4O10P Uridinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](https://www.csnvchem.com/uploads/C43H55N4O10P-Uridine-300x300.png)
![C45H56N7O9P Guanosinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl) phosphoramiditum] (ACI)](https://www.csnvchem.com/uploads/C45H56N7O9P-300x300.png)
![C44H53FN7O8 Guanosinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methyl ethyl)phosphoramiditum] (ACI)](https://www.csnvchem.com/uploads/C44H53FN7O8-300x300.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)...](https://www.csnvchem.com/uploads/C53H66N7O8PSi-300x300.png)
![C40H49N4O9P Uridinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine-300x300.png)