ChemSpider 2D Image | 8-[5-(4-Chloro-2-nitrophenyl)-2-furyl]-7-(2-methoxyethyl)-3-propyl-3,7-dihydro-1H-purine-2,6-dione | C21H20ClN5O6

8-[5-(4-Chloro-2-nitrophenyl)-2-furyl]-7-(2-methoxyethyl)-3-propyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC21H20ClN5O6
  • Average mass473.866 Da
  • Monoisotopic mass473.110199 Da
  • ChemSpider ID70043034

More details:

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

1H-Purine-2,6-dione, 8-[5-(4-chloro-2-nitrophenyl)-2-furanyl]-3,7-dihydro-7-(2-methoxyethyl)-3-propyl- [ACD/Index Name]
8-[5-(4-Chlor-2-nitrophenyl)-2-furyl]-7-(2-methoxyethyl)-3-propyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-[5-(4-Chloro-2-nitrophenyl)-2-furyl]-7-(2-methoxyethyl)-3-propyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[5-(4-Chloro-2-nitrophényl)-2-furyl]-7-(2-méthoxyéthyl)-3-propyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.50
ACD/KOC (pH 5.5): 709.63
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.00
ACD/KOC (pH 7.4): 704.31
Polar Surface Area: 135 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 307.7±7.0 cm3

Click to predict properties on the Chemicalize site


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