ChemSpider 2D Image | CDP-4-dehydro-6-deoxy-D-glucose | C15H23N3O15P2

CDP-4-dehydro-6-deoxy-D-glucose

  • Molecular FormulaC15H23N3O15P2
  • Average mass547.302 Da
  • Monoisotopic mass547.060425 Da
  • ChemSpider ID10160730

  • defined stereocentres - 7 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 (3R,4R,6R)-3,4-dihydroxy-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-(3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yldihydrogendiphosphat [German] [ACD/IUPAC Name]
CDP-4-dehydro-6-deoxy-D-glucose
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (3R,4R,6R)-3,4-dihydroxy-6-méthyl-5-oxotétrahydro-2H-pyran-2-yle (non-prefe rred name) [French] [ACD/IUPAC Name]
cytidine 5'-[3-(6-deoxy-D-xylo-hexopyranosyl-4-ulose) dihydrogen diphosphate]

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

CHEBI:17494 [DBID]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 872.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.0±6.0 kJ/mol
Flash Point: 481.2±37.1 °C
Index of Refraction: 1.768
Molar Refractivity: 101.9±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.04
ACD/LogD (pH 5.5): -9.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 297 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 123.9±7.0 dyne/cm
Molar Volume: 245.7±7.0 cm3

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