ChemSpider 2D Image | (4E)-4-[(2E)-2-{[1-Carboxylato-2-(3,4-dihydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylate | C18H15N2O8

(4E)-4-[(2E)-2-{[1-Carboxylato-2-(3,4-dihydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylate

  • Molecular FormulaC18H15N2O8
  • Average mass387.322 Da
  • Monoisotopic mass387.084473 Da
  • ChemSpider ID24784862

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-[(2E)-2-{[1-Carboxylato-2-(3,4-dihydroxyphenyl)ethyl]imino}ethyliden]-1,2,3,4-tetrahydro-2,6-pyridindicarboxylat [German] [ACD/IUPAC Name]
(4E)-4-[(2E)-2-{[1-Carboxylato-2-(3,4-dihydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylate [ACD/IUPAC Name]
(4E)-4-[(2E)-2-{[1-Carboxylato-2-(3,4-dihydroxyphényl)éthyl]imino}éthylidène]-1,2,3,4-tétrahydro-2,6-pyridinedicarboxylate [French] [ACD/IUPAC Name]
2,6-Pyridinedicarboxylic acid, 4-[(2E)-2-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]imino]ethylidene]-1,2,3,4-tetrahydro-, ion(3-), (4E)- [ACD/Index Name]
dopaxanthin

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

Density:
Boiling Point: 739.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 401.2±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -4.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability:
Surface Tension:
Molar Volume:

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