ChemSpider 2D Image | 5-Allyl-5-[(2S)-2-hydroxypropyl]-2,4,6(1H,3H,5H)-pyrimidinetrione | C10H14N2O4

5-Allyl-5-[(2S)-2-hydroxypropyl]-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC10H14N2O4
  • Average mass226.229 Da
  • Monoisotopic mass226.095352 Da
  • ChemSpider ID34990509

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2S)-2-hydroxypropyl]-5-(2-propen-1-yl)- [ACD/Index Name]
5-Allyl-5-[(2S)-2-hydroxypropyl]-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
5-Allyl-5-[(2S)-2-hydroxypropyl]-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
5-Allyl-5-[(2S)-2-hydroxypropyl]-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
219-803-4 [EINECS]
2537-29-3 [RN]
proxibarbal [INN] [Wiki]
UNII-F97OMS297F

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.494
Molar Refractivity: 54.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.26
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.60
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.52
Polar Surface Area: 96 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 187.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement