ChemSpider 2D Image | (2E,5S)-5-Amino-2-hexenedioic acid | C6H9NO4

(2E,5S)-5-Amino-2-hexenedioic acid

  • Molecular FormulaC6H9NO4
  • Average mass159.140 Da
  • Monoisotopic mass159.053162 Da
  • ChemSpider ID24188274

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E,5S)-5-Amino-2-hexendisäure [German] [ACD/IUPAC Name]
(2E,5S)-5-Amino-2-hexenedioic acid [ACD/IUPAC Name]
2-Hexenedioic acid, 5-amino-, (2E,5S)- [ACD/Index Name]
Acide (2E,5S)-5-amino-2-hexènedioïque [French] [ACD/IUPAC Name]
(S)-5-Aminohex-2-enedioic acid
(S,E)-5-aminohex-2-enedioic acid
2-Hexenedioic acid, 5-amino-, (2E,5S)- (9CI)
443650-31-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 423.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±6.0 kJ/mol
Flash Point: 209.9±28.7 °C
Index of Refraction: 1.551
Molar Refractivity: 36.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -3.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 114.5±3.0 cm3

Click to predict properties on the Chemicalize site


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