ChemSpider 2D Image | 2-(~2~H_2_)Amino-9-{[2-(~2~H)hydroxyethoxy]methyl}(1-~2~H)-1,9-dihydro-6H-purin-6-one | C8H7D4N5O3

2-(2H2)Amino-9-{[2-(2H)hydroxyethoxy]methyl}(1-2H)-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC8H7D4N5O3
  • Average mass229.229 Da
  • Monoisotopic mass229.111298 Da
  • ChemSpider ID95707289
  • Non-standard isotope - Non-standard isotope


More details:






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

2-(2H2)Amino-9-{[2-(2H)hydroxyethoxy]methyl}(1-2H)-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-(2H2)Amino-9-{[2-(2H)hydroxyethoxy]methyl}(1-2H)-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-(2H2)Amino-9-{[2-(2H)hydroxyéthoxy]méthyl}(1-2H)-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-(amino-d2)-1,9-dihydro-1-d-9-[[2-(hydroxy-d)ethoxy]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.762
Molar Refractivity: 52.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.76
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.85
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.81
Polar Surface Area: 115 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 83.7±7.0 dyne/cm
Molar Volume: 127.2±7.0 cm3

Click to predict properties on the Chemicalize site






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