ChemSpider 2D Image | (2S,3R)-3-Hydroxy-2-{(Z)-[(15E)-1-hydroxy-15-tetracosen-1-ylidene]amino}octadecyl 2-deoxy-2-(2-oxopropyl)-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 | C74H134N2O26

(2S,3R)-3-Hydroxy-2-{(Z)-[(15E)-1-hydroxy-15-tetracosen-1-ylidene]amino}octadecyl 2-deoxy-2-(2-oxopropyl)-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 FormulaC74H134N2O26
  • Average mass1467.854 Da
  • Monoisotopic mass1466.922485 Da
  • ChemSpider ID59696505

  • 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)-3-Hydroxy-2-{(Z)-[(15E)-1-hydroxy-15-tetracosen-1-yliden]amino}octadecyl-2-desoxy-2-(2-oxopropyl)-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)-3-Hydroxy-2-{(Z)-[(15E)-1-hydroxy-15-tetracosen-1-ylidene]amino}octadecyl 2-deoxy-2-(2-oxopropyl)-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]
15-Tetracosenimidic acid, N-[(1S,2R)-1-[[[O-2-deoxy-2-(2-oxopropyl)-β-D-galactopyranosyl-(1->;4)-O-[(6ξ)-3,5-dideoxy-5-[[(1Z)-1-hydroxyethylidene]amino]-α-D-gluco-2-nonulopyranonosyl-(2->3)]-O- β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxyheptadecyl]-, (1Z,15E)- [ACD/Index Name]
2-Désoxy-2-(2-oxopropyl)-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-galactopyra nosyl-(1->4)-β-D-glucopyranoside de (2S,3R)-3-hydroxy-2-{(Z)-[(15E)-1-hydroxy-15-tétracosén-1-ylidène]amino}octadécyle [French] [ACD/IUPAC Name]
(2S,4S,5R)-2-{[(2R,3S,4R,5R,6S)-3-{[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R)-3-hydroxy-2-(tetracos-15-enamido)octadecyl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Ganglioside GM2 (d18:0/24:1(15Z))

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1376.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 234.5±6.0 kJ/mol
Flash Point: 786.1±37.1 °C
Index of Refraction: 1.569
Molar Refractivity: 365.8±0.5 cm3
#H bond acceptors: 28
#H bond donors: 16
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 4
ACD/LogP: 16.20
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 31256.77
ACD/KOC (pH 5.5): 6304.52
ACD/LogD (pH 7.4): 6.91
ACD/BCF (pH 7.4): 13392.42
ACD/KOC (pH 7.4): 2701.26
Polar Surface Area: 456 Å2
Polarizability: 145.0±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 1116.9±7.0 cm3

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