ChemSpider 2D Image | Istradefylline-13C-d3 | C1913CH21D3N4O4

Istradefylline-13C-d3

  • Molecular FormulaC1913CH21D3N4O4
  • Average mass388.440 Da
  • Monoisotopic mass388.201935 Da
  • ChemSpider ID58794467

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

1H-Purine-2,6-dione, 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-3,7-dihydro-7-(methyl-13C-d3)- [ACD/Index Name]
8-[(E)-2-(3,4-Dimethoxyphenyl)vinyl]-1,3-diethyl-7-(13C,2H3)methyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-[(E)-2-(3,4-Dimethoxyphenyl)vinyl]-1,3-diethyl-7-(13C,2H3)methyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[(E)-2-(3,4-Diméthoxyphényl)vinyl]-1,3-diéthyl-7-(13C,2H3)méthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
Istradefylline-13C-d3

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: 1.598
Molar Refractivity: 105.6±0.5 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: 41.8±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 309.2±7.0 cm3

Click to predict properties on the Chemicalize site


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