ChemSpider 2D Image | 2-Amino-7-[2,3,4-trihydroxy(~2~H_6_)butyl]-3,7-dihydro-6H-purin-6-one | C9H7D6N5O4

2-Amino-7-[2,3,4-trihydroxy(2H6)butyl]-3,7-dihydro-6H-purin-6-one

  • Molecular FormulaC9H7D6N5O4
  • Average mass261.268 Da
  • Monoisotopic mass261.134399 Da
  • ChemSpider ID58784275

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Amino-7-[2,3,4-trihydroxy(2H6)butyl]-3,7-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-7-[2,3,4-trihydroxy(2H6)butyl]-3,7-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-7-[2,3,4-trihydroxy(2H6)butyl]-3,7-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-3,7-dihydro-7-(2,3,4-trihydroxybutyl-1,1,2,3,4,4-d6)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 742.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 402.8±35.7 °C
Index of Refraction: 1.823
Molar Refractivity: 57.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.16
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.46
ACD/LogD (pH 7.4): -1.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.48
Polar Surface Area: 146 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 100.0±7.0 dyne/cm
Molar Volume: 131.4±7.0 cm3

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