ChemSpider 2D Image | (4E)-4-[(2E)-2-{[1-Carboxy-2-(4-hydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid | C18H18N2O7

(4E)-4-[(2E)-2-{[1-Carboxy-2-(4-hydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid

  • Molecular FormulaC18H18N2O7
  • Average mass374.345 Da
  • Monoisotopic mass374.111389 Da
  • ChemSpider ID35032429

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-[(2E)-2-{[1-Carboxy-2-(4-hydroxyphenyl)ethyl]imino}ethyliden]-1,2,3,4-tetrahydro-2,6-pyridindicarbonsäure [German] [ACD/IUPAC Name]
(4E)-4-[(2E)-2-{[1-Carboxy-2-(4-hydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid [ACD/IUPAC Name]
2,6-Pyridinedicarboxylic acid, 4-[(2E)-2-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]imino]ethylidene]-1,2,3,4-tetrahydro-, (4E)- [ACD/Index Name]
Acide (4E)-4-[(2E)-2-{[1-carboxy-2-(4-hydroxyphényl)éthyl]imino}éthylidène]-1,2,3,4-tétrahydro-2,6-pyridinedicarboxylique [French] [ACD/IUPAC Name]
(4E)-4-[(2E)-2-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid
(4E)-4-[(2E)-2-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
4-[(2E)-2-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid
portulacaxanthin II
tyrosine-βxanthin

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 693.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.9±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 92.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -3.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 62.6±7.0 dyne/cm
Molar Volume: 255.6±7.0 cm3

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