ChemSpider 2D Image | 5-Ethynyl-1-(beta-D-glucopyranosyl)-2,4(1H,3H)-pyrimidinedione | C12H14N2O7

5-Ethynyl-1-(β-D-glucopyranosyl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC12H14N2O7
  • Average mass298.249 Da
  • Monoisotopic mass298.080109 Da
  • ChemSpider ID28511524
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

2,4(1H,3H)-Pyrimidinedione, 5-ethynyl-1-β-D-glucopyranosyl- [ACD/Index Name]
5-Ethinyl-1-(β-D-glucopyranosyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-Ethynyl-1-(β-D-glucopyranosyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-Éthynyl-1-(β-D-glucopyranosyl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
5-Ethynyl-1-(β-D-Glucopyranosyl)pyrimidine-2,4(1h,3h)-Dione
D1M

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 66.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.18
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.32
Polar Surface Area: 140 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 174.8±5.0 cm3

Click to predict properties on the Chemicalize site






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