ChemSpider 2D Image | 3-(beta-D-Glucopyranosyloxy)-1,2-propanediyl dioctadecanoate | C45H86O10

3-(β-D-Glucopyranosyloxy)-1,2-propanediyl dioctadecanoate

  • Molecular FormulaC45H86O10
  • Average mass787.158 Da
  • Monoisotopic mass786.622070 Da
  • ChemSpider ID446598

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

3-(β-D-Glucopyranosyloxy)-1,2-propandiyl-dioctadecanoat [German] [ACD/IUPAC Name]
3-(β-D-Glucopyranosyloxy)-1,2-propanediyl dioctadecanoate [ACD/IUPAC Name]
3-(β-D-glucopyranosyloxy)propane-1,2-diyl dioctadecanoate
Dioctadécanoate de 3-(β-D-glucopyranosyloxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
Octadecanoic acid, 1-[(β-D-glucopyranosyloxy)methyl]-1,2-ethanediyl ester [ACD/Index Name]
Octadecanoic acid, 2-(b-D-glucopyranosyloxy)-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester
1,2-O-distearoyl-3-O-(β-D-glucopyranosyl)-rac-glycerol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL388539/
octadecanoic acid 2-octadecanoyloxy-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-propyl ester

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

AIDS186085 [DBID]
AIDS-186085 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 826.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.7±6.0 kJ/mol
Flash Point: 226.6±27.8 °C
Index of Refraction: 1.502
Molar Refractivity: 221.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 14.70
ACD/LogD (pH 5.5): 13.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 152 Å2
Polarizability: 87.8±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 750.9±5.0 cm3

Click to predict properties on the Chemicalize site


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