ChemSpider 2D Image | CDP-alpha-D-abequose | C15H25N3O14P2

CDP-α-D-abequose

  • Molecular FormulaC15H25N3O14P2
  • Average mass533.318 Da
  • Monoisotopic mass533.081177 Da
  • ChemSpider ID388657

  • defined stereocentres - 8 of 8 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,5R,6R)-3,5-dihydroxy-6-methyltetrahydro-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,5R,6R)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yldihydrogendiphosphat [German] [ACD/IUPAC Name]
CDP-α-D-abequose
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3R,5R,6R)-3,5-dihydroxy-6-méthyltétrahydro-2H-pyran-2-yle (non-preferre d name) [French] [ACD/IUPAC Name]
CDP-abequose
cytidine 5'-[3-(3,6-dideoxy-α-D-xylo-hexopyranosyl) dihydrogen diphosphate]

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

C01788 [DBID]
  • Miscellaneous

    • Chemical Class:

      A CDP-<stereo>D</stereo>-abequose in which the anomeric centre of the pyranose fragment has <stereo>alpha</stereo>-configuration. ChEBI CHEBI:70799
      A CDP-D-abequose in which the anomeric centre of the pyranose fragment has alpha-configuration. ChEBI CHEBI:70799

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

Density: 2.1±0.1 g/cm3
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: 1.749
Molar Refractivity: 101.1±0.5 cm3
#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: 280 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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