ChemSpider 2D Image | (4S)-4-Amino(6,6-~2~H_2_)-5-hexenoic acid | C6H9D2NO2

(4S)-4-Amino(6,6-2H2)-5-hexenoic acid

  • Molecular FormulaC6H9D2NO2
  • Average mass131.169 Da
  • Monoisotopic mass131.091537 Da
  • ChemSpider ID78075918

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S)-4-Amino(6,6-2H2)-5-hexenoic acid [ACD/IUPAC Name]
(4S)-4-Amino(6,6-2H2)-5-hexensäure [German] [ACD/IUPAC Name]
5-Hexenoic-6,6-d2 acid, 4-amino-, (4S)- [ACD/Index Name]
Acide (4S)-4-amino(6,6-2H2)-5-hexénoïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 277.7±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 56.8±6.0 kJ/mol
Flash Point: 121.7±24.0 °C
Index of Refraction: 1.483
Molar Refractivity: 34.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -2.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 121.3±3.0 cm3

Click to predict properties on the Chemicalize site


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