ChemSpider 2D Image | 1-palmitoyl-2-cis-vaccenoyl-3-alpha-D-glucosyl-sn-glycerol | C43H80O10

1-palmitoyl-2-cis-vaccenoyl-3-α-D-glucosyl-sn-glycerol

  • Molecular FormulaC43H80O10
  • Average mass757.089 Da
  • Monoisotopic mass756.575134 Da
  • ChemSpider ID26325560

  • 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

(11Z)-11-Octadécénoate de (2S)-1-(α-D-glucopyranosyloxy)-3-(palmitoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-(α-D-Glucopyranosyloxy)-3-(palmitoyloxy)-2-propanyl (11Z)-11-octadecenoate [ACD/IUPAC Name]
(2S)-1-(α-D-Glucopyranosyloxy)-3-(palmitoyloxy)-2-propanyl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
11-Octadecenoic acid, (1S)-2-(α-D-glucopyranosyloxy)-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (11Z)- [ACD/Index Name]
1-palmitoyl-2-cis-vaccenoyl-3-α-D-glucosyl-sn-glycerol
(2S)-1-(α-D-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate
1-O-palmitoyl-2-cis-O-vaccenoyl-3-O-α-D-glucosyl-sn-glycerol
Glc-DAG-s2
SPN-Glc-DAG
  • Miscellaneous

    • Chemical Class:

      An <stereo>alpha</stereo>-<stereo>D</stereo>-Glc-(1<arrow>right</arrow>3')-1,2-diacylglycerol in which the acyl groups at positions 1 and 2 are palmitoyl (hexadecanoyl) and <stereo>cis</stereo>-vaccen oyl [(11<stereo>Z</stereo>)-octadec-11-enoyl] respectively. Found in <ital>Streptococcus pneumoniae</ital>. ChEBI CHEBI:68524
      An alpha-D-Glc-(1->3')-1,2-diacylglycerol in which the acyl groups at positions 1 and 2 are palmitoyl (hexadecanoyl) and cis-vaccenoyl [(11Z)-octadec-11-enoyl] respectively. Found in Streptococcus pn eumoniae. ChEBI CHEBI:68524
      An alpha-D-Glc-(1right3')-1,2-diacylglycerol in which the acyl groups at positions 1 and 2 are palmitoyl (hexadecanoyl) and cis-vaccen; oyl [(11Z)-octadec-11-enoyl] respectively. Found in Streptococc us pneumoniae. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68524

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

Density: 1.1±0.1 g/cm3
Boiling Point: 809.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.1±6.0 kJ/mol
Flash Point: 225.4±27.8 °C
Index of Refraction: 1.508
Molar Refractivity: 212.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 13.12
ACD/LogD (pH 5.5): 11.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.88
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: 46.4±5.0 dyne/cm
Molar Volume: 712.3±5.0 cm3

Click to predict properties on the Chemicalize site


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