ChemSpider 2D Image | (-)-diberal | C12H20N2O3

(-)-diberal

  • Molecular FormulaC12H20N2O3
  • Average mass240.299 Da
  • Monoisotopic mass240.147400 Da
  • ChemSpider ID32701814

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(-)-diberal
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(1S)-1,3-dimethylbutyl]-5-ethyl- [ACD/Index Name]
24016-64-6 [RN]
5-Ethyl-5-[(2S)-4-methyl-2-pentanyl]-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
5-Éthyl-5-[(2S)-4-méthyl-2-pentanyl]-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
5-Ethyl-5-[(2S)-4-methyl-2-pentanyl]-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(1,3-DIMETHYLBUTYL)-5-ETHYL-, (S)-
2964-06-9 [RN]
Diberal
DIBERAL, (-)-
More...

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

ZKZ077N71R [DBID]
UNII:ZKZ077N71R [DBID]
UNII-ZKZ077N71R [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.465
Molar Refractivity: 62.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 33.11
ACD/KOC (pH 5.5): 425.71
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 25.73
ACD/KOC (pH 7.4): 330.86
Polar Surface Area: 75 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 226.0±3.0 cm3

Click to predict properties on the Chemicalize site


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