ChemSpider 2D Image | 2-Amino-8-bromo-9-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-3,9-dihydro-6H-purin-6-one | C10H13BrN5O7P

2-Amino-8-bromo-9-(2-deoxy-5-O-phosphono-β-D-threo-pentofuranosyl)-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H13BrN5O7P
  • Average mass426.117 Da
  • Monoisotopic mass424.973602 Da
  • ChemSpider ID114812756

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Amino-8-brom-9-(2-desoxy-5-O-phosphono-β-D-threo-pentofuranosyl)-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-8-bromo-9-(2-deoxy-5-O-phosphono-β-D-threo-pentofuranosyl)-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-8-bromo-9-(2-désoxy-5-O-phosphono-β-D-thréo-pentofuranosyl)-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-8-bromo-9-(2-deoxy-5-O-phosphono-β-D-threo-pentofuranosyl)-3,9-dihydro- [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: 843.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±3.0 kJ/mol
Flash Point: 464.0±37.1 °C
Index of Refraction: 1.935
Molar Refractivity: 77.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -4.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 141.2±7.0 dyne/cm
Molar Volume: 162.2±7.0 cm3

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