ChemSpider 2D Image | 2-Acetamido-2-deoxy-3-O-methyl-D-glucopyranose | C9H17NO6

2-Acetamido-2-deoxy-3-O-methyl-D-glucopyranose

  • Molecular FormulaC9H17NO6
  • Average mass235.234 Da
  • Monoisotopic mass235.105591 Da
  • ChemSpider ID24603472

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-3-O-methyl-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-3-O-methyl-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-3-O-méthyl-D-glucopyranose [French] [ACD/IUPAC Name]
94825-74-8 [RN]
D-Glucopyranose, 2-(acetylamino)-2-deoxy-3-O-methyl- [ACD/Index Name]
3-O-Methyl-N-acetyl-D-glucosamine
3-O-OMe-GlcNAc
MFCD01863324 [MDL number]
N-((3R,4R,5S,6R)-2,5-Dihydroxy-6-(hydroxymethyl)-4-methoxytetrahydro-2H-pyran-3-yl)acetamide
N-[(3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxy-tetrahydropyran-3-yl]acetamide

    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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