ChemSpider 2D Image | N-{(3S,4R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-4-hydroxy-2-oxotetrahydro-3-furanyl}acetamide | C8H13NO6

N-{(3S,4R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-4-hydroxy-2-oxotetrahydro-3-furanyl}acetamide

  • Molecular FormulaC8H13NO6
  • Average mass219.192 Da
  • Monoisotopic mass219.074280 Da
  • ChemSpider ID29367501

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

28876-37-1 [RN]
N-{(3S,4R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-4-hydroxy-2-oxotetrahydro-3-furanyl}acetamid [German] [ACD/IUPAC Name]
N-{(3S,4R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-4-hydroxy-2-oxotetrahydro-3-furanyl}acetamide [ACD/IUPAC Name]
N-{(3S,4R,5S)-5-[(1R)-1,2-Dihydroxyéthyl]-4-hydroxy-2-oxotétrahydro-3-furanyl}acétamide [French] [ACD/IUPAC Name]
2-Acetamido-2-deoxy-D-mannono-1,4-lactone
D-Mannonicacid, 2-(acetylamino)-2-deoxy-, g-lactone
D-Mannonicacid,2-(acetylamino)-2-deoxy-,g-lactone
MFCD01863323 [MDL number]
N-((3S,4R,5S)-5-((R)-1,2-Dihydroxyethyl)-4-hydroxy-2-oxotetrahydrofuran-3-yl)acetamide
N-[(3S,4R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-4-hydroxy-2-oxooxolan-3-yl]acetamide

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 681.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.8 mmHg at 25°C
    Enthalpy of Vaporization: 114.4±6.0 kJ/mol
    Flash Point: 366.1±31.5 °C
    Index of Refraction: 1.561
    Molar Refractivity: 47.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -3.98
    ACD/LogD (pH 5.5): -3.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 116 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 70.6±5.0 dyne/cm
    Molar Volume: 145.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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