ChemSpider 2D Image | 4-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)phenyl hydrogen sulfate | C12H12N2O7S

4-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)phenyl hydrogen sulfate

  • Molecular FormulaC12H12N2O7S
  • Average mass328.298 Da
  • Monoisotopic mass328.036530 Da
  • ChemSpider ID57476704

More details:

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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-[4-(sulfooxy)phenyl]- [ACD/Index Name]
4-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)phenyl hydrogen sulfate [ACD/IUPAC Name]
4-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)phenylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 4-(5-éthyl-2,4,6-trioxohexahydro-5-pyrimidinyl)phényle [French] [ACD/IUPAC Name]
4-(5-Ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)phenyl hydrogen sulfate
64662-10-8 [RN]

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: 1.589
Molar Refractivity: 72.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -4.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 214.2±3.0 cm3

Click to predict properties on the Chemicalize site


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