ChemSpider 2D Image | 2-Acetamido-2-deoxy-alpha-D-talopyranuronic acid | C8H13NO7

2-Acetamido-2-deoxy-α-D-talopyranuronic acid

  • Molecular FormulaC8H13NO7
  • Average mass235.191 Da
  • Monoisotopic mass235.069199 Da
  • ChemSpider ID21106455
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

2-Acetamido-2-deoxy-α-D-talopyranuronic acid [ACD/IUPAC Name]
2-Acetamido-2-desoxy-α-D-talopyranuronsäure [German] [ACD/IUPAC Name]
Acide 2-acétamido-2-désoxy-α-D-talopyranuronique [French] [ACD/IUPAC Name]
α-D-Talopyranuronic acid, 2-(acetylamino)-2-deoxy- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 679.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 364.5±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 48.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -4.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 85.5±5.0 dyne/cm
Molar Volume: 143.9±5.0 cm3

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