ChemSpider 2D Image | (2E,4Z)-7-Amino-5-formyl-2-hydroxy-2,4-octadienedioic acid | C9H11NO6

(2E,4Z)-7-Amino-5-formyl-2-hydroxy-2,4-octadienedioic acid

  • Molecular FormulaC9H11NO6
  • Average mass229.187 Da
  • Monoisotopic mass229.058640 Da
  • ChemSpider ID21407427
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E,4Z)-7-Amino-5-formyl-2-hydroxy-2,4-octadiendisäure [German] [ACD/IUPAC Name]
(2E,4Z)-7-Amino-5-formyl-2-hydroxy-2,4-octadienedioic acid [ACD/IUPAC Name]
2,4-Octadienedioic acid, 7-amino-5-formyl-2-hydroxy-, (2E,4Z)- [ACD/Index Name]
Acide (2E,4Z)-7-amino-5-formyl-2-hydroxy-2,4-octadiènedioïque [French] [ACD/IUPAC Name]
5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde

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

C04797 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 565.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 295.6±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 51.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -4.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 78.5±3.0 dyne/cm
Molar Volume: 152.1±3.0 cm3

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