ChemSpider 2D Image | 2-Amino-8-bromo-9-[(3xi)-beta-L-threo-pentofuranosyl]-1,9-dihydro-6H-purin-6-one | C10H12BrN5O5

2-Amino-8-bromo-9-[(3ξ)-β-L-threo-pentofuranosyl]-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H12BrN5O5
  • Average mass362.137 Da
  • Monoisotopic mass361.002167 Da
  • ChemSpider ID50644978
  • 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-[(3ξ)-β-L-threo-pentofuranosyl]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-8-bromo-9-[(3ξ)-β-L-threo-pentofuranosyl]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-8-bromo-9-[(3ξ)-β-L-thréo-pentofuranosyl]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-8-bromo-1,9-dihydro-9-[(3ξ)-β-L-threo-pentofuranosyl]- [ACD/Index Name]
4016-63-1 [RN]
8-Bromoguanosine [ACD/IUPAC Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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: -0.08
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.21
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.89
Polar Surface Area: 155 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






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