ChemSpider 2D Image | (1Z,15E)-N-[(2S,3R,4E)-1-{[beta-D-Galactopyranosyl-(1->3)-2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-(2xi)-beta-D-arabino-hexopyranosyl]ox y}-3-hydroxy-4-octadecen-2-yl]-15-tetracosenimidic acid | C68H124N2O23

(1Z,15E)-N-[(2S,3R,4E)-1-{[β-D-Galactopyranosyl-(1->3)-2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-(2ξ)-β-D-arabino-hexopyranosyl]ox y}-3-hydroxy-4-octadecen-2-yl]-15-tetracosenimidic acid

  • Molecular FormulaC68H124N2O23
  • Average mass1337.712 Da
  • Monoisotopic mass1336.859497 Da
  • ChemSpider ID59697008

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 21 of 22 defined stereocentres

More details:

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

(1Z,15E)-N-[(2S,3R,4E)-1-{[β-D-Galactopyranosyl-(1->3)-2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-(2ξ)-β-D-arabino-hexopyranosyl]ox y}-3-hydroxy-4-octadecen-2-yl]-15-tetracosenimidic acid [ACD/IUPAC Name]
(1Z,15E)-N-[(2S,3R,4E)-1-{[β-D-Galactopyranosyl-(1->3)-2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-(2ξ)-β-D-arabino-hexopyranosyl]ox y}-3-hydroxy-4-octadecen-2-yl]-15-tetracosenimidsäure [German] [ACD/IUPAC Name]
15-Tetracosenimidic acid, N-[(1S,2R,3E)-1-[[[O-β-D-galactopyranosyl-(1->3)-O-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-galactopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->4)-(2ξ)-β-D -arabino-hexopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-, (1Z,15E)- [ACD/Index Name]
Acide (1Z,15E)-N-[(2S,3R,4E)-1-{[β-D-galactopyranosyl-(1->3)-2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-(2ξ)-β-D-arabino-hexopyran osyl]oxy}-3-hydroxy-4-octadécén-2-yl]-15-tétracosénimidique [French] [ACD/IUPAC Name]
Ganglioside GA1 (d18:1/24:1(15Z))
N-[(2S,3R)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]tetracos-15-enamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 1284.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 216.7±6.0 kJ/mol
Flash Point: 730.6±37.1 °C
Index of Refraction: 1.568
Molar Refractivity: 335.2±0.5 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 4
ACD/LogP: 14.05
ACD/LogD (pH 5.5): 8.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1399788.38
ACD/LogD (pH 7.4): 8.80
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1458450.88
Polar Surface Area: 402 Å2
Polarizability: 132.9±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 1025.1±7.0 cm3

Click to predict properties on the Chemicalize site


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