ChemSpider 2D Image | CYTIDINE 5'-DIPHOSPHOGLYCEROL | C12H21N3O13P2

CYTIDINE 5'-DIPHOSPHOGLYCEROL

  • Molecular FormulaC12H21N3O13P2
  • Average mass477.255 Da
  • Monoisotopic mass477.054962 Da
  • ChemSpider ID26329742

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[5-O-[(R)-[[(R)-[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-α-L-arabinofuranosyl]- [ACD/Index Name]
4-Amino-1-{5-O-[(R)-{[(R)-[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-α-L-arabinofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{5-O-[(R)-{[(R)-[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-α-L-arabinofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{5-O-[(R)-{[(R)-[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-α-L-arabinofuranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
CYTIDINE 5'-DIPHOSPHOGLYCEROL
{[(2S,3R,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)phosphinic acid

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

Density: 2.1±0.1 g/cm3
Boiling Point: 825.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.5±6.0 kJ/mol
Flash Point: 452.8±37.1 °C
Index of Refraction: 1.725
Molar Refractivity: 88.6±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -4.91
ACD/LogD (pH 5.5): -9.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 271 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 121.5±7.0 dyne/cm
Molar Volume: 223.3±7.0 cm3

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