ChemSpider 2D Image | CDP-4-dehydro-3,6-dideoxy-alpha-D-glucose | C15H23N3O14P2

CDP-4-dehydro-3,6-dideoxy-α-D-glucose

  • Molecular FormulaC15H23N3O14P2
  • Average mass531.302 Da
  • Monoisotopic mass531.065552 Da
  • ChemSpider ID167490

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3R,6R)-3-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3R,6R)-3-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yldihydrogendiphosphat [German] [ACD/IUPAC Name]
21870-27-9 [RN]
CDP-4-dehydro-3,6-dideoxy-α-D-glucose
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3R,6R)-3-hydroxy-6-méthyl-5-oxotétrahydro-2H-pyran-2-yle (non-preferred name) [French] [ACD/IUPAC Name]
CDP-3,6-dideoxy-D-erythro-hexos-4-ulose
CDP-4-dehydro-3,6-dideoxy-D-glucose
Cytidine 5'-(trihydrogen diphosphate), mono(3,6-dideoxy-α-D-erythro-hexopyranos-4-ulosyl) ester
cytidine 5'-[3-(3,6-dideoxy-α-D-erythro-hexopyranosyl-4-ulose) dihydrogen diphosphate]
Cytidine diphosphate-4-keto-3,6-dideoxyglucose
  • Miscellaneous

    • Chemical Class:

      A CDP-4-dehydro-3,6-dideoxy-<stereo>D</stereo>-glucose in which the anomeric centre of the pyranose fragment has <stereo>alpha</stereo>-configuration. ChEBI CHEBI:70800
      A CDP-4-dehydro-3,6-dideoxy-D-glucose in which the anomeric centre of the pyranose fragment has alpha-configuration. ChEBI CHEBI:70800

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

Density: 2.1±0.1 g/cm3
Boiling Point: 845.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.6±6.0 kJ/mol
Flash Point: 464.8±37.1 °C
Index of Refraction: 1.749
Molar Refractivity: 101.1±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.38
ACD/LogD (pH 5.5): -9.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 115.2±7.0 dyne/cm
Molar Volume: 248.5±7.0 cm3

Click to predict properties on the Chemicalize site


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