ChemSpider 2D Image | N-Glycoloylganglioside GM2 | C43H85NO8

N-Glycoloylganglioside GM2

  • Molecular FormulaC43H85NO8
  • Average mass744.137 Da
  • Monoisotopic mass743.627502 Da
  • ChemSpider ID393427
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

N-Glycoloylganglioside GM2
104443-57-4 [RN]
N-[(1S,2S)-2-HYDROXY-1-({[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YL]OXY}METHYL)OCTADECYL]OCTADECANAMIDE
N-[(2S,3S)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-2-nonadecanyl]octadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3S)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-2-nonadecanyl]octadecanamide [ACD/IUPAC Name]
N-[(2S,3S)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-2-nonadécanyl]octadécanamide [French] [ACD/IUPAC Name]
Octadecanamide, N-[(1S,2S)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxyoctadecyl]- [ACD/Index Name]
Ganglioside AII
NeuGc-GM2
N-glycoloyl-Ganglioside GM2
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 858.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.8±6.0 kJ/mol
Flash Point: 473.1±34.3 °C
Index of Refraction: 1.510
Molar Refractivity: 213.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 3
ACD/LogP: 12.95
ACD/LogD (pH 5.5): 12.11
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.11
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 149 Å2
Polarizability: 84.8±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 715.6±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement