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Search term: HTJXTKBIUVFUAR-XHIBXCGHSA-J (Found by InChIKey (full match))
ChemSpider 2D Image | 5'-O-[({[(2R,3S)-2,4-Dihydroxy-3-methyl-3-(phosphonatooxy)butoxy]phosphinato}oxy)phosphinato]cytidine | C14H22N3O17P3

5'-O-[({[(2R,3S)-2,4-Dihydroxy-3-methyl-3-(phosphonatooxy)butoxy]phosphinato}oxy)phosphinato]cytidine

  • Molecular FormulaC14H22N3O17P3
  • Average mass597.258 Da
  • Monoisotopic mass597.018372 Da
  • ChemSpider ID26330966

  • 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)-2,4-Dihydroxy-3-methyl-3-(phosphonatooxy)butoxy]phosphinato}oxy)phosphinato]cytidin [German] [ACD/IUPAC Name]
5'-O-[({[(2R,3S)-2,4-Dihydroxy-3-methyl-3-(phosphonatooxy)butoxy]phosphinato}oxy)phosphinato]cytidine [ACD/IUPAC Name]
5'-O-[({[(2R,3S)-2,4-Dihydroxy-3-méthyl-3-(phosphonatooxy)butoxy]phosphinato}oxy)phosphinato]cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[[[[(2R,3S)-2,4-dihydroxy-3-methyl-3-(phosphonooxy)butoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, ion(4-) [ACD/Index Name]
4-CDP-2-C-methyl-D-erythritol 2-phosphate
4-CDP-2-C-methyl-D-erythritol 2-phosphate tetraanion
4-CDP-2-C-methyl-D-erythritol 2-phosphate(4-)
4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate
4-diphosphocytidyl-2-C-methylerythritol 2-phosphate
5'-O-[{[{[(2R,3S)-2,4-dihydroxy-3-methyl-3-(phosphinatooxy)butyl]oxy}(hydroxy)phosphinato]oxy}(hydroxy)phosphoryl]cytidine
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  • Miscellaneous

    • Chemical Class:

      Tetraanion of 4-CDP-2-C-methyl-D-erythritol 2-phosphate arising from deprotonation of phosphate and diphosphate groups; major species at pH 7.3. ChEBI CHEBI:57919

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 956.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 157.9±6.0 kJ/mol
Flash Point: 532.3±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -4.98
ACD/LogD (pH 5.5): -11.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 359 Å2
Polarizability:
Surface Tension:
Molar Volume:

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