ChemSpider 2D Image | 1-[5-Hydroxy(4,4,5,6,6,6-~2~H_6_)hexyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione | C13H14D6N4O3

1-[5-Hydroxy(4,4,5,6,6,6-2H6)hexyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC13H14D6N4O3
  • Average mass286.360 Da
  • Monoisotopic mass286.191193 Da
  • ChemSpider ID48060317

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[5-Hydroxy(4,4,5,6,6,6-2H6)hexyl]-3,7-dimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1-[5-Hydroxy(4,4,5,6,6,6-2H6)hexyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1-[5-Hydroxy(4,4,5,6,6,6-2H6)hexyl]-3,7-diméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione, 3,7-dihydro-1-(5-hydroxyhexyl-4,4,5,6,6,6-d6)-3,7-dimethyl- [ACD/Index Name]
1-(4,4,5,6,6,6-hexadeuterio-5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione
1185995-47-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 511.2±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 263.0±31.8 °C
Index of Refraction: 1.621
Molar Refractivity: 74.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.41
ACD/KOC (pH 5.5): 65.41
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.41
ACD/KOC (pH 7.4): 65.41
Polar Surface Area: 79 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 211.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement