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Search term: CTKWVWNNRMQLBE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-3-(beta-D-Galactopyranosyloxy)-2-[(9Z,12E)-9,12-pentadecadienoyloxy]propyl (9Z,12E)-9,12,15-hexadecatrienoate | C40H66O10

(2S)-3-(β-D-Galactopyranosyloxy)-2-[(9Z,12E)-9,12-pentadecadienoyloxy]propyl (9Z,12E)-9,12,15-hexadecatrienoate

  • Molecular FormulaC40H66O10
  • Average mass706.946 Da
  • Monoisotopic mass706.465576 Da
  • ChemSpider ID61715128

  • 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)-3-(β-D-Galactopyranosyloxy)-2-[(9Z,12E)-9,12-pentadecadienoyloxy]propyl (9Z,12E)-9,12,15-hexadecatrienoate [ACD/IUPAC Name]
(2S)-3-(β-D-Galactopyranosyloxy)-2-[(9Z,12E)-9,12-pentadecadienoyloxy]propyl-(9Z,12E)-9,12,15-hexadecatrienoat [German] [ACD/IUPAC Name]
(9Z,12E)-9,12,15-Hexadécatriénoate de (2S)-3-(β-D-galactopyranosyloxy)-2-[(9Z,12E)-9,12-pentadecadienoyloxy]propyle [French] [ACD/IUPAC Name]
9,12,15-Hexadecatrienoic acid, (2S)-3-(β-D-galactopyranosyloxy)-2-[[(9Z,12E)-1-oxo-9,12-pentadecadien-1-yl]oxy]propyl ester, (9Z,12E)- [ACD/Index Name]
1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE
LMG

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

Density: 1.1±0.1 g/cm3
Boiling Point: 783.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.9±6.0 kJ/mol
Flash Point: 224.7±26.4 °C
Index of Refraction: 1.531
Molar Refractivity: 197.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 3
ACD/LogP: 9.30
ACD/LogD (pH 5.5): 7.44
ACD/BCF (pH 5.5): 266000.78
ACD/KOC (pH 5.5): 265892.44
ACD/LogD (pH 7.4): 7.44
ACD/BCF (pH 7.4): 265999.00
ACD/KOC (pH 7.4): 265890.69
Polar Surface Area: 152 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 639.6±5.0 cm3

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