ChemSpider 2D Image | Methyl 2-acetamido-2-deoxy-alpha-L-threo-hexopyranosiduronic acid | C9H15NO7

Methyl 2-acetamido-2-deoxy-α-L-threo-hexopyranosiduronic acid

  • Molecular FormulaC9H15NO7
  • Average mass249.218 Da
  • Monoisotopic mass249.084854 Da
  • ChemSpider ID25031207
  • defined stereocentres - 3 of 5 defined stereocentres


More details:






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

Acide 2-acétamido-2-désoxy-α-L-thréo-hexopyranosiduronique de méthyle [French] [ACD/IUPAC Name]
Methyl 2-acetamido-2-deoxy-α-L-threo-hexopyranosiduronic acid [ACD/IUPAC Name]
Methyl-2-acetamido-2-desoxy-α-L-threo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
α-L-threo-Hexopyranosiduronic acid, methyl 2-(acetylamino)-2-deoxy- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 594.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 313.5±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 53.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -3.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 169.0±5.0 cm3

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