ChemSpider 2D Image | Miraxanthin-II | C13H14N2O8

Miraxanthin-II

  • Molecular FormulaC13H14N2O8
  • Average mass326.259 Da
  • Monoisotopic mass326.075012 Da
  • ChemSpider ID30791227

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-{(2Z)-2-[(1,2-Dicarboxyethyl)imino]ethyliden}-1,2,3,4-tetrahydro-2,6-pyridindicarbonsäure [German] [ACD/IUPAC Name]
(4E)-4-{(2Z)-2-[(1,2-Dicarboxyethyl)imino]ethylidene}-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid [ACD/IUPAC Name]
2,6-Pyridinedicarboxylic acid, 4-[(2Z)-2-[(1,2-dicarboxyethyl)imino]ethylidene]-1,2,3,4-tetrahydro-, (4E)- [ACD/Index Name]
Acide (4E)-4-{(2Z)-2-[(1,2-dicarboxyéthyl)imino]éthylidène}-1,2,3,4-tétrahydro-2,6-pyridinedicarboxylique [French] [ACD/IUPAC Name]
Miraxanthin-II
5375-63-3 [RN]

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

C08555 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 608.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 98.6±6.0 kJ/mol
Flash Point: 321.5±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 72.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.39
ACD/LogD (pH 5.5): -5.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 72.3±7.0 dyne/cm
Molar Volume: 201.1±7.0 cm3

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