![C42H52N5O9P Cytidinum, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C42H52N5O9P Cytidinum, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI) Imago Praecipua](https://www.csnvchem.com/uploads/C42H52N5O9P-Cytidine.png)
C42H52N5O9P Cytidinum, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)
Numerus Registri CAS
199593-09-4
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 801.87 | - |
| pKa (Praedictum) | 10.18±0.20 | Temperatura Acida Maxima: 25°C |
Subrisus Canonici
N#CCCOP(OC(N2C=CC(= NC2=O)NC(=O)C)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)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](OC)[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/C42H52N5O9P/c1-28(2)47(29(3)4)57(54-26-12-24-43)56-38-36(55-40(39(38)52-8)46-25-23-37(44-30(5)48)45-41(46)49)27-53 -42(31-13-10-9-11-14-31,32-15-19-34(50-6)20-16-32)33-17-21-35(51-7)22-18-33/h9-11,13-23,25,28-29,36,38-40H,12,26-27H2,1-8H3,(H,44,45,48,49)/t36-,38-,39-,40-,57?/m¹/s¹
Clavis InChI
WNWUMIPFLOKTEZ-UAQIPLLRSA-N
1 Aliud Nomen pro hac Substantia
CytidinumN-acetylum-5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3'-[2-cyanoethyl bis(1-methylethyl)phosphoramiditum] (9CI)
Proprietates praesto
Biologicus
Chemica
Lipinski
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 4.77 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 50.1 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2190 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 21700 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 35700 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 37800 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 37900 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 37300 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 31400 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 12300 | 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 8.29 pH 1; Temperatura: 25°C (1) ACD |
| Koc 87.1 pH 2; Temperatura: 25°C (1) ACD |
| Koc 3800 pH 3; Temperatura: 25°C (1) ACD |
| Koc 37700 pH 4; Temperatura: 25°C (1) ACD |
| Koc 62000 pH 5; Temperatura: 25°C (1) ACD |
| Koc 65700 pH 6; Temperatura: 25°C (1) ACD |
| Koc 65900 pH 7; Temperatura: 25°C (1) ACD |
| Koc 64700 pH 8; Temperatura: 25°C (1) ACD |
| Koc 54500 pH 9; Temperatura: 25°C (1) ACD |
| Koc 21400 pH 10; Temperatura: 25°C (1) ACD |
| logD 2.43 pH 1; Temperatura: 25°C (1) ACD |
| logD 3.45 pH 2; Temperatura: 25°C (1) ACD |
| logD 5.09 pH 3; Temperatura: 25°C (1) ACD |
| Possessio | Valor | Conditio | Fons |
| logD | 6.09 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | sexta et dimidia | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 6.33 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 6.33 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 6.32 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 6.25 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 5.84 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 6.329±0.771 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 1.8 × 10⁻⁴ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.4 g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.14 g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.1 × 10⁻³ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.2 × 10⁻⁴ g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.9 × 10⁻⁴ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.8 × 10⁻⁴ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.8 × 10⁻⁴ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.8 × 10⁻⁴ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.2 × 10⁻⁴ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.6 × 10⁻⁴ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.8 × 10⁻⁴ g/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 2.3 × 10⁻⁷ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.8 × 10⁻³ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.7 × 10⁻⁴ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.9 × 10⁻⁶ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.0 × 10⁻⁷ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.4 × 10⁻⁷ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.3 × 10⁻⁷ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.3 × 10⁻⁷ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.3 × 10⁻⁷ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.8 × 10⁻⁷ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 7.0 × 10⁻⁷ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.3 × 10⁻⁷ mol/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Pondus Moleculare | 801.87 | ||
| pKa | 10.18±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 | 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 | 6.329±0.771 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 801.87 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Fons Conditionis |
| Area Superficialis Polaris | 167 A2 | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra praesto sunt
1H NMR
13C NMR
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