ChemSpider 2D Image | 3-Methoxytyramine-betaxanthin | C18H20N2O6

3-Methoxytyramine-βxanthin

  • Molecular FormulaC18H20N2O6
  • Average mass360.361 Da
  • Monoisotopic mass360.132141 Da
  • ChemSpider ID30791577

  • 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

(2S,4E)-4-[(2Z)-2-{[2-(4-Hydroxy-3-methoxyphenyl)ethyl]imino}ethyliden]-1,2,3,4-tetrahydro-2,6-pyridindicarbonsäure [German] [ACD/IUPAC Name]
(2S,4E)-4-[(2Z)-2-{[2-(4-Hydroxy-3-methoxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid [ACD/IUPAC Name]
2,6-Pyridinedicarboxylic acid, 1,2,3,4-tetrahydro-4-[(2Z)-2-[[2-(4-hydroxy-3-methoxyphenyl)ethyl]imino]ethylidene]-, (2S,4E)- [ACD/Index Name]
3-Methoxytyramine-βxanthin
Acide (2S,4E)-4-[(2Z)-2-{[2-(4-hydroxy-3-méthoxyphényl)éthyl]imino}éthylidène]-1,2,3,4-tétrahydro-2,6-pyridinedicarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 643.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 342.8±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 92.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 266.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement