ChemSpider 2D Image | Ganglioside GM2 (d18:1/24:1(15Z)) | C73H131N3O26

Ganglioside GM2 (d18:1/24:1(15Z))

  • Molecular FormulaC73H131N3O26
  • Average mass1466.826 Da
  • Monoisotopic mass1465.902100 Da
  • ChemSpider ID16744928

  • 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 (d18:1/24:1(15Z))
(2S,3R,4E)-3-Hydroxy-2-[(15Z)-15-tetracosenoylamino]-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- ulopyranonosyl-(2->;3)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-[(15Z)-15-tetracosenoylamino]-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]
15-Tetracosenamide, 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]-, (15Z)- [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)-3-hydroxy-2-[(15Z)-15-tetracosenoylamino]-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(d18:1/24:1
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: 1438.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 246.9±6.0 kJ/mol
Flash Point: 823.7±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 378.1±0.4 cm3
#H bond acceptors: 29
#H bond donors: 17
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 4
ACD/LogP: 13.61
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 4148.59
ACD/KOC (pH 5.5): 1493.52
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 1748.85
ACD/KOC (pH 7.4): 629.60
Polar Surface Area: 461 Å2
Polarizability: 149.9±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 1146.0±5.0 cm3

Click to predict properties on the Chemicalize site


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