ChemSpider 2D Image | (2S)-1-(beta-D-Galactopyranosyloxy)-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl (9E,12Z,15Z)-9,12,15-octadecatrienoate | C45H76O10

(2S)-1-(β-D-Galactopyranosyloxy)-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl (9E,12Z,15Z)-9,12,15-octadecatrienoate

  • Molecular FormulaC45H76O10
  • Average mass777.079 Da
  • Monoisotopic mass776.543823 Da
  • ChemSpider ID58837466

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-1-(β-D-Galactopyranosyloxy)-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl (9E,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(2S)-1-(β-D-Galactopyranosyloxy)-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl-(9E,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9E,12Z,15Z)-9,12,15-Octadécatriénoate de (2S)-1-(β-D-galactopyranosyloxy)-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (1S)-2-(β-D-galactopyranosyloxy)-1-[[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]methyl]ethyl ester, (9E,12Z,15Z)- [ACD/Index Name]
1-(9Z,12Z-octadecadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-β-D-galactosyl-sn-glycerol
1-18:2-2-18:3-monogalactosyldiacylglycerol
18:2-18:3-MGDG

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

Density: 1.1±0.1 g/cm3
Boiling Point: 825.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.6±6.0 kJ/mol
Flash Point: 229.5±27.8 °C
Index of Refraction: 1.529
Molar Refractivity: 221.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: 11.95
ACD/LogD (pH 5.5): 9.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4233843.00
ACD/LogD (pH 7.4): 9.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4233815.00
Polar Surface Area: 152 Å2
Polarizability: 87.7±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 717.6±5.0 cm3

Click to predict properties on the Chemicalize site


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