ChemSpider 2D Image | Ganglioside GM2 (d18:1/26:1(17Z)) | C75H135N3O26

Ganglioside GM2 (d18:1/26:1(17Z))

  • Molecular FormulaC75H135N3O26
  • Average mass1494.879 Da
  • Monoisotopic mass1493.933350 Da
  • ChemSpider ID16744929

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 22 of 23 defined stereocentres

More details:

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

Ganglioside GM2 (d18:1/26:1(17Z))
(2S,3R,4E)-2-[(17Z)-17-Hexacosenoylamino]-3-hydroxy-4-octadecen-1-yl 2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)-[5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-u lopyranonosyl-(2->3)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-2-[(17Z)-17-Hexacosenoylamino]-3-hydroxy-4-octadecen-1-yl-2-acetamido-2-desoxy-β-D-galactopyranosyl-(1->4)-[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-glucopyranosid [German] [ACD/IUPAC Name]
104443-57-4 [RN]
17-Hexacosenamide, N-[(1S,2R,3E)-1-[[[O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->4)-O-[(6ξ)-5-(acetylamino)-3,5-dideoxy-α-D-gluco-2-nonulopyranonosyl-(2->3)]-O-β-D-galactopyranosyl- (1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-, (17Z)- [ACD/Index Name]
2-Acétamido-2-désoxy-β-D-galactopyranosyl-(1->4)-[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-glucopy ranoside de (2S,3R,4E)-2-[(17Z)-17-hexacosenoylamino]-3-hydroxy-4-octadécén-1-yle [French] [ACD/IUPAC Name]
GalNAc-β1->4(Neu5Ac-α2->3)Gal-β1->4Glc-β1->1'Cer
GalNAc-β1->4(Neu5Ac-α2->3)Gal-β1->4Glc-β1->1'Cer(d18:1/26:1
Ganglioside GM2
GM2
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1445.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 248.3±6.0 kJ/mol
Flash Point: 827.8±34.3 °C
Index of Refraction: 1.572
Molar Refractivity: 387.4±0.4 cm3
#H bond acceptors: 29
#H bond donors: 17
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 4
ACD/LogP: 14.67
ACD/LogD (pH 5.5): 6.69
ACD/BCF (pH 5.5): 11055.58
ACD/KOC (pH 5.5): 3012.37
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 4660.51
ACD/KOC (pH 7.4): 1269.88
Polar Surface Area: 461 Å2
Polarizability: 153.6±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 1177.8±5.0 cm3

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