ChemSpider 2D Image | Ganglioside GA1 (d18:1/20:0) | C64H118N2O23

Ganglioside GA1 (d18:1/20:0)

  • Molecular FormulaC64H118N2O23
  • Average mass1283.621 Da
  • Monoisotopic mass1282.812500 Da
  • ChemSpider ID17216295
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 21 of 22 defined stereocentres


More details:






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

Ganglioside GA1 (d18:1/20:0)
71012-19-6 [RN]
Eicosanamide, N-[(1S,2R,3E)-1-[[[O-β-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->;4)-β-D-mannopyranosyl]oxy]methyl]-2-hydroxy- 3-heptadecen-1-yl]- [ACD/Index Name]
N-[(2S,3R,4E)-1-{[β-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-mannopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]icosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[β-D-Galactopyranosyl-(1->3)-2-acetamido-2-desoxy-β-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-mannopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]icosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[β-D-Galactopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-mannopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]icosanamide [French] [ACD/IUPAC Name]
Asialo ganglioside GM1a
Asialo GM1
Asialo GM1 ganglioside
asialoganglioside G(M1) from bovine brain
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 1309.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 221.6±6.0 kJ/mol
Flash Point: 745.8±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 331.1±0.4 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 4
ACD/LogP: 10.46
ACD/LogD (pH 5.5): 8.16
ACD/BCF (pH 5.5): 944760.56
ACD/KOC (pH 5.5): 658303.44
ACD/LogD (pH 7.4): 8.16
ACD/BCF (pH 7.4): 944757.50
ACD/KOC (pH 7.4): 658300.56
Polar Surface Area: 395 Å2
Polarizability: 131.3±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 1011.9±5.0 cm3

Click to predict properties on the Chemicalize site






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