ChemSpider 2D Image | asialo-GM2 ganglioside | C56H104N2O18

asialo-GM2 ganglioside

  • Molecular FormulaC56H104N2O18
  • Average mass1093.428 Da
  • Monoisotopic mass1092.728394 Da
  • ChemSpider ID13628425

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 17 defined stereocentres

More details:

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

asialo-GM2 ganglioside
Ganglioside GA2 (d18:1/18:0)
N-[(2S,3R,4E)-1-{[2-Acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octadecanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[2-Acetamido-2-desoxy-β-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[2-Acétamido-2-désoxy-β-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]octadécanamide [French] [ACD/IUPAC Name]
Octadecanamide, N-[(1S,2R,3E)-1-[[[O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]
35960-33-9 [RN]
Asialo GM2
ASIALOGANGLIOSIDE-GM2
asialo-GM2(d18:1/18:0)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C05796 [DBID]
  • Miscellaneous

    • Chemical Class:

      An <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-galactosaminyl-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<stereo>bet a</stereo>-<stereo>D</stereo>-glucosylceramide in which the ceramide <element>N</element>-acyl group is specified as stearoyl. ChEBI CHEBI:78486
      An N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide in which the ceramide N-acyl group is specified as stearoyl. ChEBI CHEBI:78486
      An N-acetyl-beta-D-galactosaminyl-(1right4)-beta-D-galactosyl-(1right4)-bet; a-D-glucosylceramide in which the ceramide N-acyl group is specified as stearoyl. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78486

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1181.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 197.5±6.0 kJ/mol
Flash Point: 668.3±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 288.1±0.4 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 4
ACD/LogP: 11.76
ACD/LogD (pH 5.5): 9.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2521226.25
ACD/LogD (pH 7.4): 9.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2521217.75
Polar Surface Area: 316 Å2
Polarizability: 114.2±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 897.7±5.0 cm3

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