ChemSpider 2D Image | (2S,3R,4Z)-3-Hydroxy-2-[(Z)-(1-hydroxytetracosylidene)amino]-4-octadecen-1-yl 2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-beta-D-galactopyranosyl-(1->4)-[3,5-dideoxy-5-[(Z)-(1-hydroxyethylidene)amino]- 6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside | C73H133N3O26

(2S,3R,4Z)-3-Hydroxy-2-[(Z)-(1-hydroxytetracosylidene)amino]-4-octadecen-1-yl 2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-galactopyranosyl-(1->4)-[3,5-dideoxy-5-[(Z)-(1-hydroxyethylidene)amino]- 6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside

  • Molecular FormulaC73H133N3O26
  • Average mass1468.842 Da
  • Monoisotopic mass1467.917725 Da
  • ChemSpider ID59697032

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 22 of 23 defined stereocentres

More details:

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

(2S,3R,4Z)-3-Hydroxy-2-[(Z)-(1-hydroxytetracosyliden)amino]-4-octadecen-1-yl-2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-galactopyranosyl-(1->4)-[3,5-didesoxy-5-[(Z)-(1-hydroxyethyliden)amino]-6 ;-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2S,3R,4Z)-3-Hydroxy-2-[(Z)-(1-hydroxytetracosylidene)amino]-4-octadecen-1-yl 2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-galactopyranosyl-(1->4)-[3,5-dideoxy-5-[(Z)-(1-hydroxyethylidene)amino]- ;6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside [ACD/IUPAC Name]
2-Désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-galactopyranosyl-(1->4)-[3,5-didésoxy-5-[(Z)-(1-hydroxyéthylidène)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)] ;-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside de (2S,3R,4Z)-3-hydroxy-2-[(Z)-(1-hydroxytétracosylidène)amino]-4-octadécén-1-yle [French] [ACD/IUPAC Name]
Tetracosanimidic acid, N-[(1S,2R,3Z)-1-[[[O-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-galactopyranosyl-(1->4)-O-[(6ξ)-3,5-dideoxy-5-[[(1Z)-1-hydroxyethylidene]amino]-α-D-gluco-2-nonulopy ranonosyl-(2->3)]-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-, (1Z)- [ACD/Index Name]
(2S,4S,5R)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R)-3-hydroxy-2-tetracosanamidooctadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Ganglioside GM2 (d18:1/24:0)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1394.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 238.1±6.0 kJ/mol
Flash Point: 796.9±37.1 °C
Index of Refraction: 1.573
Molar Refractivity: 364.2±0.5 cm3
#H bond acceptors: 29
#H bond donors: 17
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 4
ACD/LogP: 17.21
ACD/LogD (pH 5.5): 7.88
ACD/BCF (pH 5.5): 83526.35
ACD/KOC (pH 5.5): 11930.42
ACD/LogD (pH 7.4): 7.61
ACD/BCF (pH 7.4): 44724.46
ACD/KOC (pH 7.4): 6388.19
Polar Surface Area: 472 Å2
Polarizability: 144.4±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 1105.5±7.0 cm3

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