ChemSpider 2D Image | 8-Bromo-9-[(2xi)-beta-D-threo-pentofuranosyl]-9H-purin-6-amine | C10H12BrN5O4

8-Bromo-9-[(2ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC10H12BrN5O4
  • Average mass346.137 Da
  • Monoisotopic mass345.007263 Da
  • ChemSpider ID23935515

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

8-Brom-9-[(2ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
8-Bromo-9-[(2ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
8-Bromo-9-[(2ξ)-β-D-thréo-pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 8-bromo-9-[(2ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
6-Amino-8-bromopurine riboside
8-Bromoadenine-9-b-D-ribofuranoside
8-Bromoadenosine|6-Amino-8-bromopurine riboside|8-Bromoadenine-9-b-D-ribofuranoside
  • Miscellaneous

    • Safety:

      H302+H312+H332 W&J PharmaChem, Inc. 201184
      P302+P352+P304+P312+P503+P351+P338+P403+P235+P280+P260 W&J PharmaChem, Inc. 201184

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

Density: 2.5±0.1 g/cm3
Boiling Point: 717.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 387.8±35.7 °C
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: -0.30
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.46
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.49
Polar Surface Area: 140 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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