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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]
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-carboxylic acid
142685-89-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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