ChemSpider 2D Image | N-Glycoloylganglioside GM1 | C77H139N3O30

N-Glycoloylganglioside GM1

  • Molecular FormulaC77H139N3O30
  • Average mass1586.930 Da
  • Monoisotopic mass1585.944336 Da
  • ChemSpider ID17216009

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 27 of 28 defined stereocentres

More details:

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

N-Glycoloylganglioside GM1
(2R,3S,4E)-3-Hydroxy-2-(icosanoylamino)-4-icosen-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->3)-2-acetamido-2- ;deoxy-β-D-galactopyranosyl-(1->4)]-6-deoxy-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside [ACD/IUPAC Name]
(2R,3S,4E)-3-Hydroxy-2-(icosanoylamino)-4-icosen-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->3)-2-acetamido-2 ;-desoxy-β-D-galactopyranosyl-(1->4)]-6-desoxy-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
104443-62-1 [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->3)-2-acétamido-2-désoxy-β-D-galactopyranosyl-(1->4)]-6-désoxy-β- D-galactopyranosyl-(1->4)-β-D-glucopyranoside de (2R,3S,4E)-3-hydroxy-2-(icosanoylamino)-4-icosén-1-yle [French] [ACD/IUPAC Name]
Eicosanamide, N-[(1R,2S,3E)-1-[[[O(6ξ)-5-(acetylamino)-3,5-dideoxy-α-D-gluco-2-nonulopyranonosyl-(2->3)-O-[O-β-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->4)] -O-6-deoxy-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-nonadecen-1-yl]- [ACD/Index Name]
(2S,4S,5R)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2R,3S,4E)-3-hydroxy-2-icosanamidoicos-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-{[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy
GM1 ganglioside

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: 1513.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 262.1±6.0 kJ/mol
Flash Point: 868.9±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 401.1±0.4 cm3
#H bond acceptors: 33
#H bond donors: 19
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 4
ACD/LogP: 10.99
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 388.40
ACD/KOC (pH 5.5): 274.67
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 162.60
ACD/KOC (pH 7.4): 114.99
Polar Surface Area: 520 Å2
Polarizability: 159.0±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 1205.9±5.0 cm3

Click to predict properties on the Chemicalize site


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