![C41H49FN5O8P Cytidinum, N-acetyl-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)
![C41H49FN5O8P Cytidinum, N-acetyl-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/C41H49FN5O8P-Cytidine.png)
C41H49FN5O8P Cytidinum, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)
Numerus Registri CAS
159414-99-0
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 789.83 | - |
| pKa (Praedictum) | 10.11±0.20 | 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=CC(= NC5=O)NC(=O)C)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(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C (OC)C=C4)C5=CC=CC=C5
InChI
InChI= 1S/C41H49FN5O8P/c1-27(2)47(28(3)4)56(53-25-11-23-43)55-38-35(54-39(37(38)42)46-24-22-36(44-29(5)48)45-40(46)49)26-52- 41 (30-12-9-8-10-13-30, 31-14-18-33 (50-6) 19-15-31) 32-16-20-34 (51-7) 21-17-32/h8-10, 12-22, 24, 27-28, 35, 37-39H, 11, 25-26H2, 1-7H3, (H, 44, 45, 48, 49)/t35-, 37-, 38-, 39-, 56?/m¹/s¹.
Clavis InChI
CNFKJHKDSRXNFL-UTXREMQHSA-N
1 Aliud Nomen pro hac Substantia
CytidinumN-acetylum-5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-, 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 | 8.60 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 90.3 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 3940 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 39100 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 64300 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 68100 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 68300 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 66800 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 54300 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 19200 | 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 | 12.6 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 133 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 5790 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 57400 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 94500 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 1.00 × 105 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 1.00 × 105 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | 98200 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 79700 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 28200 | pH 10; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| logD | 2.76 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | 3.79 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | 5.43 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 6.42 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 6.64 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 6.66 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 6.66 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 6.65 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 6.56 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 6.11 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 6.666±0.764 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 4.5 × 10⁻⁵ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.36 g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.035 g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 7.90 × 10⁻⁴ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 7.9 × 10⁻⁵ g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.8 × 10⁻⁵ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.6 × 10⁻⁵ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.6 × 10⁻⁵ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.7 × 10⁻⁵ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.7 × 10⁻⁵ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.6 × 10⁻⁴ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.6 × 10⁻⁵ g/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 5.7 × 10⁻⁸ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.6 × 10⁻⁴ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.4 × 10⁻⁵ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.00 × 10⁻⁶ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.0 × 10⁻⁷ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 6.1 × 10⁻⁸ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.8 × 10⁻⁸ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.8 × 10⁻⁸ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.9 × 10⁻⁸ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Molaris | 7.2 × 10⁻⁸ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.0 × 10⁻⁷ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.8 × 10⁻⁸ mol/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 789.83 | ||
| pKa | 10.11±0.20 | Temperatura Acida Maxima: 25°C | (1) ACD |
| pKa | 3.57±0.20 | Temperatura Maxima Fundamentalis: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Fons Conditionis |
| Area Superficialis Polaris | 158 A2 | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
![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)
![C50H58N7O9P Adenosinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl) phosphoramiditum] (ACI)](https://www.csnvchem.com/uploads/C50H58N7O9P-Adenosine-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)
![C48H54N7O8P Adenosinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](https://www.csnvchem.com/uploads/C48H54N7O8P-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)
![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)