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-6-[(1S,2R)-2-({3,5-dideoxy-5-[(E)-( 1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-5-[(E)-(1-hydroxyethylidene)amino]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)]-b eta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside | C84H150N4O34

(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-6-[(1S,2R)-2-({3,5-dideoxy-5-[(E)-( 1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-5-[(E)-(1-hydroxyethylidene)amino]-β-L-threo-hex-2-ulopyranonosyl-(2->3)]-b η-D-galactopyranosyl-(1->4)-β-D-glucopyranoside

  • Molecular FormulaC84H150N4O34
  • Average mass1760.096 Da
  • Monoisotopic mass1759.013184 Da
  • ChemSpider ID59697022

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 27 of 29 defined stereocentres

More details:

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

Tetracosanimidic acid, N-[(1S,2R,3Z)-1-[[[O-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-galactopyranosyl-(1->4)-O-[O(6ξ)-3,5-dideoxy-5-[[(1E)-1-hydroxyethylidene]amino]-α-D-gluco-2-nonulop yranonosyl-(2->8)-(6ξ)-3,5-dideoxy-5-[[(1E)-1-hydroxyethylidene]amino]-α-D-gluco-2-nonulopyranonosyl-(2->3)]-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptade cen-1-yl]-, (1Z)- [ACD/Index Name]
Ganglioside GD2 (d18:1/24:0)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1588.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 277.9±6.0 kJ/mol
Flash Point: 914.5±37.1 °C
Index of Refraction: 1.589
Molar Refractivity: 423.7±0.5 cm3
#H bond acceptors: 38
#H bond donors: 22
#Freely Rotating Bonds: 62
#Rule of 5 Violations: 4
ACD/LogP: 17.68
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 911.41
ACD/KOC (pH 5.5): 259.03
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 397.36
ACD/KOC (pH 7.4): 112.93
Polar Surface Area: 621 Å2
Polarizability: 168.0±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 1257.4±7.0 cm3

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