ChemSpider 2D Image | 5-Ethynyl-1-(2,3,5-tri-O-acetyl-beta-D-glycero-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione | C17H18N2O9

5-Ethynyl-1-(2,3,5-tri-O-acetyl-β-D-glycero-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC17H18N2O9
  • Average mass394.333 Da
  • Monoisotopic mass394.101227 Da
  • ChemSpider ID74047530

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2,4(1H,3H)-Pyrimidinedione, 5-ethynyl-1-(2,3,5-tri-O-acetyl-β-D-glycero-pentofuranosyl)- [ACD/Index Name]
5-Ethinyl-1-(2,3,5-tri-O-acetyl-β-D-glycero-pentofuranosyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-Ethynyl-1-(2,3,5-tri-O-acetyl-β-D-glycero-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-Éthynyl-1-(2,3,5-tri-O-acétyl-β-D-glycéro-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.563
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.06
ACD/KOC (pH 5.5): 36.27
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.20
Polar Surface Area: 138 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 274.6±5.0 cm3

Click to predict properties on the Chemicalize site


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