ChemSpider 2D Image | 1,3-Dimethyl-7-(~11~C)methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-3,7-dihydro-1H-purine-2,6-dione | C1811CH22N4O5

1,3-Dimethyl-7-(11C)methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC1811CH22N4O5
  • Average mass385.402 Da
  • Monoisotopic mass385.170441 Da
  • ChemSpider ID4575202

  • 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

1,3-Dimethyl-7-(11C)methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1,3-Dimethyl-7-(11C)methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1,3-Diméthyl-7-(11C)méthyl-8-[(E)-2-(3,4,5-triméthoxyphényl)vinyl]-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(methyl-11C)-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]- [ACD/Index Name]
[11C]KF18446
[11C]TMSX
[7-methyl-11C]-(E)-8-(3,4,5-Trimethoxystyryl)-1,3,7-trimethylxanthine

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: 1.600
Molar Refractivity: 102.1±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: 40.5±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 298.7±7.0 cm3

Click to predict properties on the Chemicalize site


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