ChemSpider 2D Image | 2-Amino-8-bromo-9-(D-ribofuranosyl)-1,9-dihydro-6H-purin-6-one | C10H12BrN5O5

2-Amino-8-bromo-9-(D-ribofuranosyl)-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H12BrN5O5
  • Average mass362.137 Da
  • Monoisotopic mass361.002167 Da
  • ChemSpider ID24654188

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Amino-8-brom-9-(D-ribofuranosyl)-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-8-bromo-9-(D-ribofuranosyl)-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-8-bromo-9-(D-ribofuranosyl)-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 2-amino-8-bromo-9-D-ribofuranosyl- [ACD/Index Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 829.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.4±3.0 kJ/mol
Flash Point: 455.6±37.1 °C
Index of Refraction: 1.986
Molar Refractivity: 68.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -3.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 125.6±7.0 dyne/cm
Molar Volume: 138.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement