ChemSpider 2D Image | 7-[3-(Allyloxy)-2-hydroxypropyl]-8-(isobutylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione | C16H25N5O4

7-[3-(Allyloxy)-2-hydroxypropyl]-8-(isobutylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC16H25N5O4
  • Average mass351.401 Da
  • Monoisotopic mass351.190643 Da
  • ChemSpider ID34564201

More details:

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

1H-Purine-2,6-dione, 3,7-dihydro-7-[2-hydroxy-3-(2-propen-1-yloxy)propyl]-3-methyl-8-[(2-methylpropyl)amino]- [ACD/Index Name]
7-[3-(Allyloxy)-2-hydroxypropyl]-8-(isobutylamino)-3-methyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
7-[3-(Allyloxy)-2-hydroxypropyl]-8-(isobutylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-[3-(Allyloxy)-2-hydroxypropyl]-8-(isobutylamino)-3-méthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
7-(2-hydroxy-3-prop-2-enoxypropyl)-3-methyl-8-(2-methylpropylamino)purine-2,6-dione

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: 1.610
Molar Refractivity: 91.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.38
ACD/KOC (pH 5.5): 145.46
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.35
ACD/KOC (pH 7.4): 144.91
Polar Surface Area: 109 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 263.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement