ChemSpider 2D Image | 2-Amino-8-bromo-9-[(3xi)-2-deoxy-beta-D-glycero-pentofuranosyl]-1,9-dihydro-6H-purin-6-one | C10H12BrN5O4

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

  • Molecular FormulaC10H12BrN5O4
  • Average mass346.137 Da
  • Monoisotopic mass345.007263 Da
  • ChemSpider ID23977374

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-Amino-8-brom-9-[(3ξ)-2-desoxy-β-D-glycero-pentofuranosyl]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-8-bromo-9-[(3ξ)-2-deoxy-β-D-glycero-pentofuranosyl]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-8-bromo-9-[(3ξ)-2-désoxy-β-D-glycéro-pentofuranosyl]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-8-bromo-9-[(3ξ)-2-deoxy-β-D-glycero-pentofuranosyl]-1,9-dihydro- [ACD/Index Name]
13389-03-2 [RN]
2-amino-8-bromo-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
8-Bromo-2'-deoxy-D-guanosine
8-BROMO-2-DEOXYGUANOSINE
MFCD01630971 [MDL number]

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

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.941
Molar Refractivity: 67.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.33
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.92
Polar Surface Area: 135 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 110.6±7.0 dyne/cm
Molar Volume: 140.7±7.0 cm3

Click to predict properties on the Chemicalize site


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