ChemSpider 2D Image | 3-(beta-D-Galactopyranosyloxy)-2-hydroxypropyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate | C27H44O9

3-(β-D-Galactopyranosyloxy)-2-hydroxypropyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate

  • Molecular FormulaC27H44O9
  • Average mass512.633 Da
  • Monoisotopic mass512.298523 Da
  • ChemSpider ID24700757

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(6Z,9Z,12Z,15Z)-6,9,12,15-Octadécatétraénoate de 3-(β-D-galactopyranosyloxy)-2-hydroxypropyle [French] [ACD/IUPAC Name]
3-(β-D-Galactopyranosyloxy)-2-hydroxypropyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate [ACD/IUPAC Name]
3-(β-D-Galactopyranosyloxy)-2-hydroxypropyl-(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoat [German] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, 3-(β-D-galactopyranosyloxy)-2-hydroxypropyl ester, (6Z,9Z,12Z,15Z)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL483628/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 689.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.6±6.0 kJ/mol
Flash Point: 220.1±25.0 °C
Index of Refraction: 1.552
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.05
ACD/KOC (pH 5.5): 772.85
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.05
ACD/KOC (pH 7.4): 772.84
Polar Surface Area: 146 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 430.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement