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Search term: 78445434 (Found by CSID)
ChemSpider 2D Image | (2S)-2-[(4E)-4-Hexadecenoyloxy]-3-(hexopyranosyloxy)propyl (9E,12E)-9,12-octadecadienoate | C43H76O10

(2S)-2-[(4E)-4-Hexadecenoyloxy]-3-(hexopyranosyloxy)propyl (9E,12E)-9,12-octadecadienoate

  • Molecular FormulaC43H76O10
  • Average mass753.057 Da
  • Monoisotopic mass752.543823 Da
  • ChemSpider ID78445434

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 6 defined stereocentres

More details:

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

(2S)-2-[(4E)-4-Hexadecenoyloxy]-3-(hexopyranosyloxy)propyl (9E,12E)-9,12-octadecadienoate [ACD/IUPAC Name]
(2S)-2-[(4E)-4-Hexadecenoyloxy]-3-(hexopyranosyloxy)propyl-(9E,12E)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9E,12E)-9,12-Octadécadiénoate de (2S)-2-[(4E)-4-hexadecenoyloxy]-3-(hexopyranosyloxy)propyle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (2S)-3-(hexopyranosyloxy)-2-[[(4E)-1-oxo-4-hexadecen-1-yl]oxy]propyl ester, (9E,12E)- [ACD/Index Name]
(2S)-3-O-β-D-galactopyranosyl-1-O-(9Z,12Z-octadecadienoyl)-2-O-(4Z-hexadecenoyl)glycerol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 809.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.0±6.0 kJ/mol
Flash Point: 226.6±27.8 °C
Index of Refraction: 1.519
Molar Refractivity: 212.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: 12.27
ACD/LogD (pH 5.5): 10.91
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.91
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 152 Å2
Polarizability: 84.1±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 698.9±5.0 cm3

Click to predict properties on the Chemicalize site


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