ChemSpider 2D Image | Ganglioside GM2 (d18:1/12:0) | C61H109N3O26

Ganglioside GM2 (d18:1/12:0)

  • Molecular FormulaC61H109N3O26
  • Average mass1300.523 Da
  • Monoisotopic mass1299.729980 Da
  • ChemSpider ID16744922

  • 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 (d18:1/12:0)
(2S,3R,4E)-2-(Dodecanoylamino)-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-ulopyranonos yl-(2->3)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-2-(Dodecanoylamino)-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-ulopyranon osyl-(2->3)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
104443-57-4 [RN]
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-(dodecanoylamino)-3-hydroxy-4-octadécén-1-yle [French] [ACD/IUPAC Name]
Dodecanamide, 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]- [ACD/Index Name]
GalNAc-β1->4(Neu5Ac-α2->3)Gal-β1->4Glc-β1->1'Cer
Ganglioside GM2
II3NeuAcGgOse3Cer
N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-1,4-β-D-glucosyl-N-acylsphingosine
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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: 1.4±0.1 g/cm3
Boiling Point: 1401.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 239.5±6.0 kJ/mol
Flash Point: 801.4±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 322.6±0.4 cm3
#H bond acceptors: 29
#H bond donors: 17
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 7.75
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 5.20
ACD/KOC (pH 5.5): 12.51
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 5.27
Polar Surface Area: 461 Å2
Polarizability: 127.9±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 962.1±5.0 cm3

Click to predict properties on the Chemicalize site


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