ChemSpider 2D Image | (2S)-3-{[6-O-(beta-D-Glucopyranosyl)-beta-D-galactopyranosyl]oxy}-1,2-propanediyl dioctadecanoate | C51H96O15

(2S)-3-{[6-O-(β-D-Glucopyranosyl)-β-D-galactopyranosyl]oxy}-1,2-propanediyl dioctadecanoate

  • Molecular FormulaC51H96O15
  • Average mass949.299 Da
  • Monoisotopic mass948.674927 Da
  • ChemSpider ID76963226

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S)-3-{[6-O-(β-D-Glucopyranosyl)-β-D-galactopyranosyl]oxy}-1,2-propandiyl-dioctadecanoat [German] [ACD/IUPAC Name]
(2S)-3-{[6-O-(β-D-Glucopyranosyl)-β-D-galactopyranosyl]oxy}-1,2-propanediyl dioctadecanoate [ACD/IUPAC Name]
Dioctadécanoate de (2S)-3-{[6-O-(β-D-glucopyranosyl)-β-D-galactopyranosyl]oxy}-1,2-propanediyle [French] [ACD/IUPAC Name]
Octadecanoic acid, (1S)-2-[(6-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-3-[(6-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]propane-1,2-diyl dioctadecanoate
3-[β-D-Glc-(1->6)-β-D-Gal]-1,2-distearoyl-sn-glycerol
3-[β-D-Glcp-(1->6)-β-D-Galp]-1,2-distearoyl-sn-glycerol
3-[β-D-glucosyl-(1->6)-β-D-galactosyl]-1,2-distearoyl-sn-glycerol
3-O-[β-D-Glc-(1->;6)-β-D-Gal]-1,2-di-O-stearoyl-sn-glycerol
3-O-[β-D-Glcp-(1->6)-β-D-Galp]-1,2-di-O-stearoyl-sn-glycerol
More...
  • Miscellaneous

    • Chemical Class:

      A 3-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-diacyl-sn-glycerol in which the acyl groups at O-1 and O-2 are both stearoyl. A synthetic acyl homologue of the beta-glycolipid antigens (beta-GGLs) of Mycoplasma pneumoniae. ChEBI CHEBI:140461
      A 3-[beta-D-glucopyranosyl-(1right6)-beta-D-galactopyranosyl]-1,2-diacyl-sn-glycerol in which the acyl g; roups at O-1 and O-2 are both stearoyl. A synthetic acyl homologue of the beta-glycolipid anti gens (beta-GGLs) of Mycoplasma pneumoniae. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:140461

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

Density: 1.1±0.1 g/cm3
Boiling Point: 968.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.9±6.0 kJ/mol
Flash Point: 260.8±27.8 °C
Index of Refraction: 1.524
Molar Refractivity: 255.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 4
ACD/LogP: 14.48
ACD/LogD (pH 5.5): 12.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 231 Å2
Polarizability: 101.2±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 834.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement