ChemSpider 2D Image | 5'-O-[({[(2R,3S)-2,3,4-Trihydroxy-3-methylbutoxy]phosphinato}oxy)phosphinato]cytidine | C14H23N3O14P2

5'-O-[({[(2R,3S)-2,3,4-Trihydroxy-3-methylbutoxy]phosphinato}oxy)phosphinato]cytidine

  • Molecular FormulaC14H23N3O14P2
  • Average mass519.293 Da
  • Monoisotopic mass519.066650 Da
  • ChemSpider ID26330932
  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

5'-O-[({[(2R,3S)-2,3,4-Trihydroxy-3-methylbutoxy]phosphinato}oxy)phosphinato]cytidin [German] [ACD/IUPAC Name]
5'-O-[({[(2R,3S)-2,3,4-Trihydroxy-3-methylbutoxy]phosphinato}oxy)phosphinato]cytidine [ACD/IUPAC Name]
5'-O-[({[(2R,3S)-2,3,4-Trihydroxy-3-méthylbutoxy]phosphinato}oxy)phosphinato]cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[hydroxy[[hydroxy[(2R,3S)-2,3,4-trihydroxy-3-methylbutoxy]phosphinyl]oxy]phosphinyl]-, ion(2-) [ACD/Index Name]
4-CDP-2-C-methyl-D-erythritol
4-CDP-2-C-methyl-D-erythritol dianion
4-CDP-2-C-methyl-D-erythritol(2-)
cytidine 5'-{3-[(2R,3S)-2,3,4-trihydroxy-3-methylbutyl] diphosphate}

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

9372838 [DBID]

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

Density:
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:
Molar Refractivity:
#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: 297 Å2
Polarizability:
Surface Tension:
Molar Volume:

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