ChemSpider 2D Image | Ganglioside GM1 (18:1/9Z-18:1) | C73H129N3O31

Ganglioside GM1 (18:1/9Z-18:1)

  • Molecular FormulaC73H129N3O31
  • Average mass1544.807 Da
  • Monoisotopic mass1543.860962 Da
  • ChemSpider ID16744871

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 28 of 28 defined stereocentres

More details:

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

Ganglioside GM1 (18:1/9Z-18:1)
(2R,3S,4Z)-3-Hydroxy-2-[(9Z)-9-octadecenoylamino]-4-octadecen-1-yl (6S)-5-acetamido-3,5-dideoxy-6-[(1S,2S)-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)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside [ACD/IUPAC Name]
(2R,3S,4Z)-3-Hydroxy-2-[(9Z)-9-octadecenoylamino]-4-octadecen-1-yl-(6S)-5-acetamido-3,5-didesoxy-6-[(1S,2S)-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)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(6S)-5-Acétamido-3,5-didésoxy-6-[(1S,2S)-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)]-β-D-ga lactopyranosyl-(1->;4)-β-D-glucopyranoside de (2R,3S,4Z)-3-hydroxy-2-[(9Z)-9-octadecenoylamino]-4-octadécén-1-yle [French] [ACD/IUPAC Name]
104443-62-1 [RN]
9-Octadecenamide, N-[(1R,2S,3Z)-1-[[[O-5-(acetylamino)-3,5-dideoxy-L-glycero-β-L-ido-2-nonulopyranonosyl-(2->3)-O-[O-β-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-( 1->4)]-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-, (9Z)- [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: 1.4±0.1 g/cm3
Boiling Point: 1527.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 265.2±6.0 kJ/mol
Flash Point: 877.8±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 384.0±0.4 cm3
#H bond acceptors: 34
#H bond donors: 20
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 4
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 3.26
ACD/KOC (pH 5.5): 8.96
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 3.78
Polar Surface Area: 541 Å2
Polarizability: 152.2±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 1132.8±5.0 cm3

Click to predict properties on the Chemicalize site


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