ChemSpider 2D Image | [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3R,5R,6R)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl] phosphate | C15H23N3O14P2

[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3R,5R,6R)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl] phosphate

  • Molecular FormulaC15H23N3O14P2
  • Average mass531.303 Da
  • Monoisotopic mass531.066650 Da
  • ChemSpider ID28533302

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

CDP-3,6-dideoxy-α-D-xylo-hexose
CDP-α-D-abequose
CDP-α-D-abequose(2-)
cytidine 5'-[3-(3,6-dideoxy-α-D-xylo-hexopyranosyl) diphosphate]
  • Miscellaneous

    • Chemical Class:

      A CDP-D-abequose(2-) in which the anomeric centre of the pyranose fragment has alpha-configuration. ChEBI CHEBI:70784

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

Density:
Boiling Point: 847.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.1±6.0 kJ/mol
Flash Point: 466.4±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.39
ACD/LogD (pH 5.5): -9.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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