ChemSpider 2D Image | (2S,3S)-3-(Propylcarbamoyl)-2-oxiranecarboxylic acid | C7H11NO4

(2S,3S)-3-(Propylcarbamoyl)-2-oxiranecarboxylic acid

  • Molecular FormulaC7H11NO4
  • Average mass173.167 Da
  • Monoisotopic mass173.068802 Da
  • ChemSpider ID18741756

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-3-(Propylcarbamoyl)-2-oxirancarbonsäure [German] [ACD/IUPAC Name]
(2S,3S)-3-(Propylcarbamoyl)-2-oxiranecarboxylic acid [ACD/IUPAC Name]
(2S,3S)-3-(propylcarbamoyl)oxirane-2-carboxylic acid
142685-89-0 [RN]
2-Oxiranecarboxylic acid, 3-[(propylamino)carbonyl]-, (2S,3S)- [ACD/Index Name]
Acide (2S,3S)-3-(propylcarbamoyl)-2-oxiranecarboxylique [French] [ACD/IUPAC Name]
(2S,3S)-3-(Propylcarbamoyl)-oxirane-2-carboxylic acid
(2S,3S)-3-(Propylcarbamoyl)oxirane-2-carboxylicacid
[142685-89-0] [RN]
MFCD21648269 [MDL number]
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 456.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 78.5±6.0 kJ/mol
    Flash Point: 229.9±28.7 °C
    Index of Refraction: 1.514
    Molar Refractivity: 39.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.95
    ACD/LogD (pH 5.5): -3.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 79 Å2
    Polarizability: 15.5±0.5 10-24cm3
    Surface Tension: 54.8±3.0 dyne/cm
    Molar Volume: 129.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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