ChemSpider 2D Image | Ethyl 4-(3-hydroxyphenyl)-6-(~13~C)methyl-2-thioxo(5,6-~13~C_2_)-1,2,3,4-tetrahydro-5-pyrimidine(~13~C)carboxylate | C1013C4H16N2O3S

Ethyl 4-(3-hydroxyphenyl)-6-(13C)methyl-2-thioxo(5,6-13C2)-1,2,3,4-tetrahydro-5-pyrimidine(13C)carboxylate

  • Molecular FormulaC1013C4H16N2O3S
  • Average mass296.324 Da
  • Monoisotopic mass296.101593 Da
  • ChemSpider ID52082816

  • Non-standard isotope - Non-standard isotope

More details:

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

4-(3-Hydroxyphényl)-6-(13C)méthyl-2-thioxo(5,6-13C2)-1,2,3,4-tétrahydro-5-pyrimidine(13C)carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidine-4,5-13C2-carboxylic-13C acid, 1,2,3,6-tetrahydro-6-(3-hydroxyphenyl)-4-(methyl-13C)-2-thioxo-, ethyl ester [ACD/Index Name]
Ethyl 4-(3-hydroxyphenyl)-6-(13C)methyl-2-thioxo(5,6-13C2)-1,2,3,4-tetrahydro-5-pyrimidine(13C)carboxylate [ACD/IUPAC Name]
Ethyl-4-(3-hydroxyphenyl)-6-(13C)methyl-2-thioxo(5,6-13C2)-1,2,3,4-tetrahydro-5-pyrimidin(13C)carboxylat [German] [ACD/IUPAC Name]
Monastrol-13C4

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 79.0±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 217.1±5.0 cm3

Click to predict properties on the Chemicalize site


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