ChemSpider 2D Image | CDP-ribitol | C14H25N3O15P2

CDP-ribitol

  • Molecular FormulaC14H25N3O15P2
  • Average mass537.307 Da
  • Monoisotopic mass537.076111 Da
  • ChemSpider ID144770

  • 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,3S,4S)-2,3,4,5-tetrahydroxypentyl dihydrogen diphosphate [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3S,4S)-2,3,4,5-tetrahydroxypentyldihydrogendiphosphat [German] [ACD/IUPAC Name]
3506-17-0 [RN]
CDP-ribitol
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3S,4S)-2,3,4,5-tétrahydroxypentyle [French] [ACD/IUPAC Name]
[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl]oxy})phosphinic acid
{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl]oxyphosphinic acid
98920-10-6 [RN]
CDP 5-ester with D-ribitol
Cdp ribitol
More...

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

3506-17-0,98920-10-6 [DBID]
CHEBI:16022 [DBID]
  • Miscellaneous

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

Density: 2.2±0.1 g/cm3
Boiling Point: 916.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.2±6.0 kJ/mol
Flash Point: 507.8±37.1 °C
Index of Refraction: 1.728
Molar Refractivity: 99.5±0.5 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -5.92
ACD/LogD (pH 5.5): -10.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 311 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 121.7±7.0 dyne/cm
Molar Volume: 249.8±7.0 cm3

Click to predict properties on the Chemicalize site


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