ChemSpider 2D Image | 5-Ethyl-5-[(2R,4S)-4-hydroxy-2-pentanyl]-2,4,6(1H,3H,5H)-pyrimidinetrione | C11H18N2O4

5-Ethyl-5-[(2R,4S)-4-hydroxy-2-pentanyl]-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC11H18N2O4
  • Average mass242.272 Da
  • Monoisotopic mass242.126663 Da
  • ChemSpider ID58828289

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-[(1R,3S)-3-hydroxy-1-methylbutyl]- [ACD/Index Name]
30248-10-3 [RN]
5-Ethyl-5-[(2R,4S)-4-hydroxy-2-pentanyl]-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
5-Éthyl-5-[(2R,4S)-4-hydroxy-2-pentanyl]-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
5-Ethyl-5-[(2R,4S)-4-hydroxy-2-pentanyl]-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
23714-56-9 [RN]
3'-HYDROXYPENTOBARBITAL, (1'R,3'S)-(±)-

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

5512JS6V2R [DBID]
UNII:5512JS6V2R [DBID]

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: 1.486
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 61.42
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.68
ACD/KOC (pH 7.4): 46.66
Polar Surface Area: 96 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 207.0±3.0 cm3

Click to predict properties on the Chemicalize site


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