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Search term: BNFYNERBTYIYHY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-1-(beta-D-Galactopyranosyloxy)-3-(heptanoyloxy)-2-propanyl palmitate | C32H60O10

(2S)-1-(β-D-Galactopyranosyloxy)-3-(heptanoyloxy)-2-propanyl palmitate

  • Molecular FormulaC32H60O10
  • Average mass604.813 Da
  • Monoisotopic mass604.418640 Da
  • ChemSpider ID394972

  • 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-(heptanoyloxy)-2-propanyl palmitate [ACD/IUPAC Name]
(2S)-1-(β-D-Galactopyranosyloxy)-3-(heptanoyloxy)-2-propanylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (1S)-2-(β-D-galactopyranosyloxy)-1-[[(1-oxoheptyl)oxy]methyl]ethyl ester [ACD/Index Name]
Palmitate de (2S)-1-(β-D-galactopyranosyloxy)-3-(heptanoyloxy)-2-propanyle [French] [ACD/IUPAC 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: 715.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.5±6.0 kJ/mol
Flash Point: 214.5±26.4 °C
Index of Refraction: 1.506
Molar Refractivity: 161.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: 7.79
ACD/LogD (pH 5.5): 7.63
ACD/BCF (pH 5.5): 369792.72
ACD/KOC (pH 5.5): 336602.44
ACD/LogD (pH 7.4): 7.63
ACD/BCF (pH 7.4): 369790.28
ACD/KOC (pH 7.4): 336600.22
Polar Surface Area: 152 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 542.8±5.0 cm3

Click to predict properties on the Chemicalize site


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