ChemSpider 2D Image | 1-(beta-D-Glucopyranosyl)-5-(1-pentyn-1-yl)-2,4(1H,3H)-pyrimidinedione | C15H20N2O7

1-(β-D-Glucopyranosyl)-5-(1-pentyn-1-yl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC15H20N2O7
  • Average mass340.328 Da
  • Monoisotopic mass340.127045 Da
  • ChemSpider ID28511523

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-(β-D-Glucopyranosyl)-5-(1-pentin-1-yl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(β-D-Glucopyranosyl)-5-(1-pentyn-1-yl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(β-D-Glucopyranosyl)-5-(1-pentyn-1-yl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
1-(β-D-Glucopyranosyl)-5-(Pent-1-Yn-1-Yl)pyrimidine-2,4(1h,3h)-Dione
2,4(1H,3H)-Pyrimidinedione, 1-β-D-glucopyranosyl-5-(1-pentyn-1-yl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 80.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.61
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.08
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.35
Polar Surface Area: 140 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 86.4±5.0 dyne/cm
Molar Volume: 221.8±5.0 cm3

Click to predict properties on the Chemicalize site


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