ChemSpider 2D Image | Ganglioside GM3 (d18:1/12:0) | C53H96N2O21

Ganglioside GM3 (d18:1/12:0)

  • Molecular FormulaC53H96N2O21
  • Average mass1097.330 Da
  • Monoisotopic mass1096.650513 Da
  • ChemSpider ID16744859

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 16 of 18 defined stereocentres

More details:

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

Ganglioside GM3 (d18:1/12:0)
(2S,3R,4E)-2-(Dodecanoylamino)-3-hydroxy-4-octadecen-1-yl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-β-D-mann opyranoside [ACD/IUPAC Name]
(2S,3R,4E)-2-(Dodecanoylamino)-3-hydroxy-4-octadecen-1-yl-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-β-D-man nopyranosid [German] [ACD/IUPAC Name]
54827-14-4 [RN]
5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-β-D-mannopyranoside de (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxy-4 -octadécén-1-yle [French] [ACD/IUPAC Name]
Dodecanamide, N-[(1S,2R,3E)-1-[[[O(6ξ)-5-(acetylamino)-3,5-dideoxy-α-D-gluco-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->4)-β-D-mannopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1 -yl]- [ACD/Index Name]
(N-Acetylneuraminyl)-D-galactosyl-D-glucosylceramide
(N-Acetylneuraminyl)-δ-galactosyl-δ-glucosylceramide
Ganglioside GM3
Ganglioside M3
More...

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

C05796 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1238.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 208.0±6.0 kJ/mol
Flash Point: 702.6±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 277.4±0.4 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 4
ACD/LogP: 8.04
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 6.63
ACD/KOC (pH 5.5): 15.00
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 2.72
ACD/KOC (pH 7.4): 6.16
Polar Surface Area: 373 Å2
Polarizability: 110.0±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 841.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement