ChemSpider 2D Image | 5'-O-[Hydroxy({hydroxy[(2R,3S)-2,3,4-trihydroxy-3-methylbutoxy]phosphoryl}oxy)phosphoryl]cytidine | C14H25N3O14P2

5'-O-[Hydroxy({hydroxy[(2R,3S)-2,3,4-trihydroxy-3-methylbutoxy]phosphoryl}oxy)phosphoryl]cytidine

  • Molecular FormulaC14H25N3O14P2
  • Average mass521.307 Da
  • Monoisotopic mass521.081177 Da
  • ChemSpider ID391471
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5'-O-[Hydroxy({hydroxy[(2R,3S)-2,3,4-trihydroxy-3-methylbutoxy]phosphoryl}oxy)phosphoryl]cytidin [German] [ACD/IUPAC Name]
5'-O-[Hydroxy({hydroxy[(2R,3S)-2,3,4-trihydroxy-3-methylbutoxy]phosphoryl}oxy)phosphoryl]cytidine [ACD/IUPAC Name]
5'-O-[Hydroxy({hydroxy[(2R,3S)-2,3,4-trihydroxy-3-méthylbutoxy]phosphoryl}oxy)phosphoryl]cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[hydroxy[[hydroxy[(2R,3S)-2,3,4-trihydroxy-3-methylbutoxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
4-CDP-2-C-methyl-D-erythritol
4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL
4-ジホスホシチジル-2-C-メチルエリトリトール [Japanese]
BEK
cytidine 5'-{3-[(2R,3S)-2,3,4-trihydroxy-3-methylbutyl] dihydrogen diphosphate}

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C11435 [DBID]
CHEBI:16578 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 861.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.3±6.0 kJ/mol
Flash Point: 474.7±37.1 °C
Index of Refraction: 1.697
Molar Refractivity: 99.0±0.5 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.89
ACD/LogD (pH 5.5): -9.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 109.4±7.0 dyne/cm
Molar Volume: 257.1±7.0 cm3

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