ChemSpider 2D Image | 4-[(Z)-2-Hydroxyvinyl]-1-(2,3,5-tri-O-benzoyl-beta-D-ribofuranosyl)-2(1H)-pyrimidinone | C32H26N2O9

4-[(Z)-2-Hydroxyvinyl]-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-2(1H)-pyrimidinone

  • Molecular FormulaC32H26N2O9
  • Average mass582.557 Da
  • Monoisotopic mass582.163818 Da
  • ChemSpider ID10498800

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-[(Z)-2-hydroxyethenyl]-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)- [ACD/Index Name]
4-[(Z)-2-Hydroxyvinyl]-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-[(Z)-2-Hydroxyvinyl]-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-[(Z)-2-Hydroxyvinyl]-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 727.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 393.9±35.7 °C
Index of Refraction: 1.632
Molar Refractivity: 154.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 67.84
ACD/KOC (pH 5.5): 669.06
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 59.31
ACD/KOC (pH 7.4): 584.96
Polar Surface Area: 141 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 432.0±7.0 cm3

Click to predict properties on the Chemicalize site


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