ChemSpider 2D Image | 7-(1,3-Dioxolan-2-ylmethyl)-1,3-bis[(~2~H_3_)methyl]-3,7-dihydro-1H-purine-2,6-dione | C11H8D6N4O4

7-(1,3-Dioxolan-2-ylmethyl)-1,3-bis[(2H3)methyl]-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC11H8D6N4O4
  • Average mass272.290 Da
  • Monoisotopic mass272.139160 Da
  • ChemSpider ID24533800

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Purine-2,6-dione, 7-(1,3-dioxolan-2-ylmethyl)-3,7-dihydro-1,3-di(methyl-d3)- [ACD/Index Name]
7-(1,3-Dioxolan-2-ylmethyl)-1,3-bis[(2H3)methyl]-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
7-(1,3-Dioxolan-2-ylmethyl)-1,3-bis[(2H3)methyl]-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-(1,3-Dioxolan-2-ylméthyl)-1,3-bis[(2H3)méthyl]-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1219805-99-8 [RN]
7-(1,3-Dioxolan-2-ylmethyl)-1,3-dimethylxanthine
7-(1,3-Dioxolan-2-ylmethyl)thiophyline
Doxofylline-d6
Doxofylline-d6 (dimethyl-d6)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 505.2±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.3±30.9 °C
Index of Refraction: 1.700
Molar Refractivity: 64.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.11
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.11
Polar Surface Area: 77 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 167.1±7.0 cm3

Click to predict properties on the Chemicalize site


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