ChemSpider 2D Image | Ganglioside GD3 (d18:1/9Z-18:1) | C70H123N3O29

Ganglioside GD3 (d18:1/9Z-18:1)

  • Molecular FormulaC70H123N3O29
  • Average mass1470.728 Da
  • Monoisotopic mass1469.824219 Da
  • ChemSpider ID16744911

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 22 of 24 defined stereocentres

More details:

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

Ganglioside GD3 (d18:1/9Z-18:1)
(2S,3R,4E)-3-Hydroxy-2-[(9Z)-9-octadecenoylamino]-4-octadecen-1-yl 5-acetamido-6-[(1S,2R)-2-({5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihy droxypropyl]-3,5-dideoxy-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-[(9Z)-9-octadecenoylamino]-4-octadecen-1-yl-5-acetamido-6-[(1S,2R)-2-({5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dih ydroxypropyl]-3,5-didesoxy-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
104443-61-0 [RN]
5-Acétamido-6-[(1S,2R)-2-({5-acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-didésoxy-β-L-thréo-hex-2-ulopyranonosyl-(2->3) -β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside de (2S,3R,4E)-3-hydroxy-2-[(9Z)-9-octadecenoylamino]-4-octadécén-1-yle [French] [ACD/IUPAC Name]
9-Octadecenamide, N-[(1S,2R,3E)-1-[[[O(6ξ)-5-(acetylamino)-3,5-dideoxy-α-D-gluco-2-nonulopyranonosyl-(2->8)-O(6ξ)-5-(acetylamino)-3,5-dideoxy-α-D-gluco-2-nonulopyranonosyl-(2->3)-O-β-D-ga lactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-, (9Z)- [ACD/Index Name]
Ganglioside GD3
Ganglioside Glac2
GD3
Glac2
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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: 1491.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 257.7±6.0 kJ/mol
Flash Point: 855.8±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 367.4±0.4 cm3
#H bond acceptors: 32
#H bond donors: 19
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 4
ACD/LogP: 10.23
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 2.01
ACD/KOC (pH 5.5): 2.57
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 2.00
ACD/KOC (pH 7.4): 2.55
Polar Surface Area: 519 Å2
Polarizability: 145.7±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 1089.4±5.0 cm3

Click to predict properties on the Chemicalize site


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