ChemSpider 2D Image | Ganglioside GM1 (18:1/20:0) | C75H135N3O31

Ganglioside GM1 (18:1/20:0)

  • Molecular FormulaC75H135N3O31
  • Average mass1574.876 Da
  • Monoisotopic mass1573.907959 Da
  • ChemSpider ID16744874

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 26 of 28 defined stereocentres

More details:

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

Ganglioside GM1 (18:1/20:0)
(2S,3R,4E)-3-Hydroxy-2-(icosanoylamino)-4-octadecen-1-yl 5-acetamido-3,5-dideoxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]-L-threo-hex-2-ulopyranonosyl-(2->3)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-de 
oxy-β-D-galactopyranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-mannopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-(icosanoylamino)-4-octadecen-1-yl-5-acetamido-3,5-didesoxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]-L-threo-hex-2-ulopyranonosyl-(2->;3)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-d 
esoxy-β-D-galactopyranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-mannopyranosid [German] [ACD/IUPAC Name]
104443-62-1 [RN]
5-Acétamido-3,5-didésoxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]-L-thréo-hex-2-ulopyranonosyl-(2->;3)-[β-D-galactopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-galactopyranosyl-(1->4)]-β-D-galactopyran ;osyl-(1->4)-β-D-mannopyranoside de (2S,3R,4E)-3-hydroxy-2-(icosanoylamino)-4-octadécén-1-yle [French] [ACD/IUPAC Name]
Eicosanamide, N-[(1S,2R,3E)-1-[[[O(6ξ)-5-(acetylamino)-3,5-dideoxy-L-altro-2-nonulopyranonosyl-(2->3)-O-[O-β-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->4)]-O-bet 
a-D-galactopyranosyl-(1->4)-β-D-mannopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]
1-O-[O-(N-acetyl-a-neuraminosyl)-(2)-O-[O-b-D-galactopyranosyl-(1)-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1)]-O-b-D-galactopyranosyl-(1)-b-D-glucopyranosyl]-Ceramide
1-O-[O-(N-acetyl-a-neuraminosyl)-(2->3)-O-[O-b-D galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1->4)]-O-b-D-galactopyranosyl-(1->4)-b-D-glucopyranosyl]-Ceramide
1-O-[O-(N-acetyl-α-neuraminosyl)-(2->3)-O-[O-β-D galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-β-δ-galactopyranosyl-(1->4)]-O-β-δ-galactopyranosyl-(1->4)-β-δ-glucopyranosyl]-Ceramide
1-O-[O-(N-acetyl-α-neuraminosyl)-(2)-O-[O-β-δ-galactopyranosyl-(1)-2-(acetylamino)-2-deoxy-β-δ-galactopyranosyl-(1)]-O-β-δ-galactopyranosyl-(1)-β-δ-glucopyranosyl]-Ceramide
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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: 1531.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 265.9±6.0 kJ/mol
Flash Point: 879.9±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 393.4±0.4 cm3
#H bond acceptors: 34
#H bond donors: 20
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 4
ACD/LogP: 9.47
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 36.15
ACD/KOC (pH 5.5): 50.10
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 15.25
ACD/KOC (pH 7.4): 21.13
Polar Surface Area: 541 Å2
Polarizability: 156.0±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 1171.2±5.0 cm3

Click to predict properties on the Chemicalize site


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