ChemSpider 2D Image | 8-Bromo-9-(2,3,5-tri-O-acetyl-beta-D-lyxofuranosyl)-9H-purin-6-amine | C16H18BrN5O7

8-Bromo-9-(2,3,5-tri-O-acetyl-β-D-lyxofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC16H18BrN5O7
  • Average mass472.247 Da
  • Monoisotopic mass471.038940 Da
  • ChemSpider ID23976125

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

8-Brom-9-(2,3,5-tri-O-acetyl-β-D-lyxofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
8-Bromo-9-(2,3,5-tri-O-acetyl-β-D-lyxofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
8-Bromo-9-(2,3,5-tri-O-acétyl-β-D-lyxofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 8-bromo-9-(2,3,5-tri-O-acetyl-β-D-lyxofuranosyl)- [ACD/Index Name]
31281-86-4 [RN]
8-Bromo-2',3',5'-tri-O-acetyladenosine

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

Density: 1.9±0.1 g/cm3
Boiling Point: 635.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.8±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 98.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.39
ACD/KOC (pH 5.5): 116.07
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.40
ACD/KOC (pH 7.4): 116.39
Polar Surface Area: 158 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 254.0±7.0 cm3

Click to predict properties on the Chemicalize site


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