ChemSpider 2D Image | (2S,3R)-3-Hydroxy-2-[(15Z)-15-tetracosenoylamino]octadecyl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-[2-deoxy-2-(2-oxopropyl)-beta-D-galactopy ranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside | C74H134N2O26

(2S,3R)-3-Hydroxy-2-[(15Z)-15-tetracosenoylamino]octadecyl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-[2-deoxy-2-(2-oxopropyl)-β-D-galactopy ranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside

  • Molecular FormulaC74H134N2O26
  • Average mass1467.854 Da
  • Monoisotopic mass1466.922485 Da
  • ChemSpider ID35032220

  • 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-[(15Z)-15-tetracosenoylamino]octadecyl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-[2-deoxy-2-(2-oxopropyl)-β-D-galactopy ranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2-[(15Z)-15-tetracosenoylamino]octadecyl-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-[2-desoxy-2-(2-oxopropyl)-β-D-galacto pyranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
15-Tetracosenamide, N-[(1S,2R)-1-[[[O(6ξ)-5-(acetylamino)-3,5-dideoxy-α-D-gluco-2-nonulopyranonosyl-(2->3)-O-[2-deoxy-2-(2-oxopropyl)-β-D-galactopyranosyl-(1->4)]-O-β-D-galactopyranosyl-(1- >4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxyheptadecyl]-, (15Z)- [ACD/Index Name]
5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-[2-désoxy-2-(2-oxopropyl)-β-D-galactopyranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-glu copyranoside de (2S,3R)-3-hydroxy-2-[(15Z)-15-tetracosenoylamino]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-[(15Z)-tetracos-15-enamido]octadecyl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydro
Ganglioside GM2 (d18:0/24:1(15Z))

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: 1.3±0.1 g/cm3
Boiling Point: 1403.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 240.0±6.0 kJ/mol
Flash Point: 802.9±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 379.2±0.4 cm3
#H bond acceptors: 28
#H bond donors: 16
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 4
ACD/LogP: 14.16
ACD/LogD (pH 5.5): 6.98
ACD/BCF (pH 5.5): 18375.38
ACD/KOC (pH 5.5): 4335.48
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 7734.88
ACD/KOC (pH 7.4): 1824.96
Polar Surface Area: 449 Å2
Polarizability: 150.3±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 1161.3±5.0 cm3

Click to predict properties on the Chemicalize site


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