ChemSpider 2D Image | N-Propionyl-D-glucosamine | C9H17NO6

N-Propionyl-D-glucosamine

  • Molecular FormulaC9H17NO6
  • Average mass235.234 Da
  • Monoisotopic mass235.105591 Da
  • ChemSpider ID24589961

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

15475-14-6 [RN]
2-Deoxy-2-(propionylamino)-D-glucopyranose [ACD/IUPAC Name]
2-Desoxy-2-(propionylamino)-D-glucopyranose [German] [ACD/IUPAC Name]
2-Désoxy-2-(propionylamino)-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 2-deoxy-2-[(1-oxopropyl)amino]- [ACD/Index Name]
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
N-Propionyl-D-glucosamine
MFCD00059803 [MDL number]
N-((3R,4R,5S,6R)-2,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)propionamide
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]propanamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 585.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.7 mmHg at 25°C
    Enthalpy of Vaporization: 100.4±6.0 kJ/mol
    Flash Point: 307.8±30.1 °C
    Index of Refraction: 1.566
    Molar Refractivity: 53.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 5
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: -1.95
    ACD/LogD (pH 5.5): -1.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.29
    ACD/LogD (pH 7.4): -1.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.29
    Polar Surface Area: 119 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 70.3±5.0 dyne/cm
    Molar Volume: 163.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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