ChemSpider 2D Image | 7-[2-Hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-{[3-(4-morpholinyl)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione | C24H34N6O6

7-[2-Hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-{[3-(4-morpholinyl)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC24H34N6O6
  • Average mass502.563 Da
  • Monoisotopic mass502.253998 Da
  • ChemSpider ID18480238

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-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-[[3-(4-morpholinyl)propyl]amino]- [ACD/Index Name]
7-[2-Hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-{[3-(4-morpholinyl)propyl]amino}-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
7-[2-Hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-{[3-(4-morpholinyl)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-[2-Hydroxy-3-(4-méthoxyphénoxy)propyl]-1,3-diméthyl-8-{[3-(4-morpholinyl)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione
7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-{[3-(morpholin-4-yl)propyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
941937-80-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 722.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 390.6±35.7 °C
Index of Refraction: 1.636
Molar Refractivity: 131.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.48
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.74
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 4.86
ACD/KOC (pH 7.4): 91.79
Polar Surface Area: 122 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 365.7±7.0 cm3

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