ChemSpider 2D Image | 3-O-Methyl-N-acetyl-D-glucosamine | C9H17NO6

3-O-Methyl-N-acetyl-D-glucosamine

  • Molecular FormulaC9H17NO6
  • Average mass235.234 Da
  • Monoisotopic mass235.105591 Da
  • ChemSpider ID57621610

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(3ξ)-2-Acetamido-2-deoxy-3-O-methyl-D-xylo-hexopyranose [ACD/IUPAC Name]
(3ξ)-2-Acetamido-2-desoxy-3-O-methyl-D-xylo-hexopyranose [German] [ACD/IUPAC Name]
(3ξ)-2-Acétamido-2-désoxy-3-O-méthyl-D-xylo-hexopyranose [French] [ACD/IUPAC Name]
3-O-Methyl-N-acetyl-D-glucosamine
94825-74-8 [RN]
D-xylo-Hexopyranose, 2-(acetylamino)-2-deoxy-3-O-methyl-, (3ξ)- [ACD/Index Name]
2-(acetylamino)-2-deoxy-3-O-methyl-D-glucose

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

Density: 1.4±0.1 g/cm3
Boiling Point: 542.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 281.8±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 53.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.98
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.98
Polar Surface Area: 108 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 171.9±5.0 cm3

Click to predict properties on the Chemicalize site


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