![C50H60N5O10P Cytidinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl) phosphoramiditum] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P Cytidinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl) phosphoramiditum] (ACI) Imago Praecipua.](https://www.csnvchem.com/uploads/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Cytidinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl) phosphoramiditum] (ACI)
Numerus Registri CAS
163759-94-2
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 922.01 | - |
| pKa (Praedictum) | 8.59±0.40 | Temperatura Acida Maxima: 25°C |
Subrisus Canonici
N#CCCOP(OC(N2C=C(C(= NC2=O)NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C 6)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](OCCOC)[C@@H](O¹)N²C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC =C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI = 1S/C50H60N5O10P/c1-34(2)55(35(3)4)66(63-29-15-28-51)65-44-43(33-62-50(38-18-13-10-14-19-38,39-20-24-41(59-7)25-21-39) )40-22-26-42(60-8)27-23-40)64-48(45(44)61-31-30-58-6)54-32-36(5)46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/h9-14,16-27,32,34-35,43-45,48H,15,29-31,33H2,1-8H3,(H,52,53,56,57)/t43-,44-,45-,48-,66?/m¹/s¹
Clavis InChI
FLIGVMLIIDDVDSN-GICDFOIUSA-N
XXVI Alia Nomina Huius Substantiae
CytidinumN-benzoyl-5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-5-methyl-, 3′-[2-cyanoethyl bis(1-methylethyl)phosphoramiditum] (9CI); 12: PN: WO03084478 PAGINA: 57 DNA vindicata; 14: PN: US20030170636 PAGINA: 17 DNA vindicata; 15: PN: U
S20030211606 PAGINA: 19 DNA vindicatum; 15: PN: US20030212017 PAGINA: 19 DNA vindicatum; 16: PN: US20040005569 PAGINA: 22 DNA vindicatum; 17: PN: US20040006030 PAGINA: 23 DNA vindicatum; 17: PN: US20040014049 PAGINA: 20 DNA vindicatum; 18: PN: US20040014047 PAGINA E: 20 DNA vindicatum; 18: PN: US20040014048 PAGINA: 20 DNA vindicatum; 18: PN: US20040014050 PAGINA: 20 DNA vindicatum; 19: PN: U
S20030171313 PAGINA: 9 DNA vindicata; 19: PN: US20030198965 PAGINA: 20 DNA vindicata; 19: PN: US20040005565 PAGINA: 17-22 DNA vindicata; 19: PN: US20040005570 PAGINA: 20 DNA vindicata; 19: PN: US20040014051 PAGINA: 22 DNA vindicata; 20: PN: US20040014699 PAGINA
E: 20 DNA vindicatum; 21: PN: US20040006029 PAGINA: 23 DNA vindicatum; 21: PN: WO03106645 PAGINA: 72 DNA vindicatum; 61: PN: US20030
166592 PAGINA: 15 DNA vindicata; 7: PN: WO2005006958 PAGINA: 62 DNA vindicata; 84: PN: US20040171566 PAGINA: 18 DNA vindicata; 92:
PN: US20040005707 PAGINA: 20 DNA vindicata; 9: PN: WO2005007825 PAGINA: 62 DNA vindicata;N4-Benzoyl-2′-O-methoxyethyl-5-O- dimethoxytrityl-5-methylcytidin-3'-phosphoramiditum;N4-Benzoyl-2′-O-methoxyethyl-5′-ODimethoxytrityl-5-methylcytidin-3′-amiditum
Spectra praesto sunt
13C NMR
Hetero NMR
Proprietates praesto
Biologicus
Chemica
Lipinski
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | CLXXI | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1250 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 47600 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 6.44 × 105 | 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 | 7.79 × 105 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.63 × 105 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 30800 | 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 | 106 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | DCCCLXXIII | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 29500 | pH 3; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Koc | 3.99 × 105 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 8.02 × 105 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 8.70 × 105 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 8.16 × 105 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | 4.83 × 105 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 1.01 × 10⁵ | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 19100 | pH 10; Temperatura: 25°C | (1) ACD |
| logD | 4.48 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | 5.34 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | 6.92 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 8.06 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 8.36 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 8.39 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 8.37 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 8.14 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 7.46 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 6.73 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 8.401±0.723 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 1.4 × 10⁻⁴ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.1 g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.16 g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.1 × 10⁻³ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.0 × 10⁻⁴ g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.5 × 10⁻⁴ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.4 × 10⁻⁴ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.5 × 10⁻⁴ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.5 × 10⁻⁴ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.2 × 10⁻³ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 6.3 × 10⁻³ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.5 × 10⁻⁴ g/L | Aqua non tamponata pH 6.97; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 1.5 × 10⁻⁷ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.2 × 10⁻³ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Molaris | 1.7 × 10⁻⁴ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.4 × 10⁻⁶ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.2 × 10⁻⁷ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.6 × 10⁻⁷ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.5 × 10⁻⁷ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.6 × 10⁻⁷ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.7 × 10⁻⁷ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.3 × 10⁻⁶ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 6.8 × 10⁻⁶ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.6 × 10⁻⁷ mol/L | Aqua non tamponata pH 6.97; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 922.01 | ||
| pKa | 8.59±0.40 | Temperatura Acida Maxima: 25°C | (1) ACD |
| pKa | 3.87±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 | 22 | (1) ACD | |
| Acceptores H | 15 | (1) ACD | |
| Donatores H | 1 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 16 | (1) ACD | |
| logP | 8.401±0.723 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 922.01 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Fons Conditionis |
| Area Superficialis Polaris | 176 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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