ChemSpider 2D Image | Cytidine diphosphate glucose | C15H25N3O16P2

Cytidine diphosphate glucose

  • Molecular FormulaC15H25N3O16P2
  • Average mass565.317 Da
  • Monoisotopic mass565.070984 Da
  • ChemSpider ID388381

  • defined stereocentres - 9 of 9 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,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-pref erred name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yldihydrogendiphosphat (non-preferr ed name) [German] [ACD/IUPAC Name]
2906-23-2 [RN]
CDP-D-glucose
Cytidine diphosphate glucose [Wiki]
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl e [French] [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({hydroxy[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl}oxy)phosphinic acid
[CYTIDINE-5'-PHOSPHATE]-β-GLUCOSYL-PHOSPHORIC ACID ESTER
{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid
C5G
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C00501 [DBID]
  • Miscellaneous

    • Chemical Class:

      A CDP-<stereo>D</stereo>-glucose having <stereo>alpha</stereo>-configuration at the anomeric centre. ChEBI CHEBI:28942
      A CDP-D-glucose having alpha-configuration at the anomeric centre. ChEBI CHEBI:28942

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

Density: 2.3±0.1 g/cm3
Boiling Point: 909.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.0±6.0 kJ/mol
Flash Point: 503.5±37.1 °C
Index of Refraction: 1.787
Molar Refractivity: 103.0±0.5 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.49
ACD/LogD (pH 5.5): -9.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 320 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 136.2±7.0 dyne/cm
Molar Volume: 243.8±7.0 cm3

Click to predict properties on the Chemicalize site


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