ChemSpider 2D Image | (2S,3R,4Z)-2-[(9Z)-9-Heptadecenoylamino]-3-hydroxy-4-octadecen-1-yl (6S)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1- >4)-beta-D-glucopyranoside | C58H104N2O21

(2S,3R,4Z)-2-[(9Z)-9-Heptadecenoylamino]-3-hydroxy-4-octadecen-1-yl (6S)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1- >4)-β-D-glucopyranoside

  • Molecular FormulaC58H104N2O21
  • Average mass1165.447 Da
  • Monoisotopic mass1164.713135 Da
  • ChemSpider ID16744860

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(2S,3R,4Z)-2-[(9Z)-9-Heptadecenoylamino]-3-hydroxy-4-octadecen-1-yl (6S)-5-acetamido-3,5-dideoxy-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]
(2S,3R,4Z)-2-[(9Z)-9-Heptadecenoylamino]-3-hydroxy-4-octadecen-1-yl-(6S)-5-acetamido-3,5-didesoxy-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]
(6S)-5-Acétamido-3,5-didésoxy-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)-2-[(9Z)-9-heptadecenoylami no]-3-hydroxy-4-octadécén-1-yle [French] [ACD/IUPAC Name]
54827-14-4 [RN]
9-Heptadecenamide, N-[(1S,2R,3Z)-1-[[[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-gluco-2-nonulopyranonosyl-(2->;3)-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-he ptadecen-1-yl]-, (9Z)- [ACD/Index Name]
(N-Acetylneuraminyl)-D-galactosyl-D-glucosylceramide
(N-Acetylneuraminyl)-δ-galactosyl-δ-glucosylceramide
Ganglioside GM3
Ganglioside M3
GLac1
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C05796 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1257.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 211.7±6.0 kJ/mol
Flash Point: 714.4±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 300.5±0.4 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 10.18
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 314.86
ACD/KOC (pH 5.5): 237.71
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 129.27
ACD/KOC (pH 7.4): 97.59
Polar Surface Area: 373 Å2
Polarizability: 119.1±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 914.0±5.0 cm3

Click to predict properties on the Chemicalize site


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