ChemSpider 2D Image | (2S,3R,4E)-3-Hydroxy-2-[(15Z)-15-tetracosenoylamino]-4-octadecen-1-yl (6R)-5-acetamido-6-[(1S,2R)-2-({(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl} oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside | C76H135N3O29

(2S,3R,4E)-3-Hydroxy-2-[(15Z)-15-tetracosenoylamino]-4-octadecen-1-yl (6R)-5-acetamido-6-[(1S,2R)-2-({(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl} oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside

  • Molecular FormulaC76H135N3O29
  • Average mass1554.888 Da
  • Monoisotopic mass1553.918091 Da
  • ChemSpider ID113383764

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(2S,3R,4E)-3-Hydroxy-2-[(15Z)-15-tetracosenoylamino]-4-octadecen-1-yl (6R)-5-acetamido-6-[(1S,2R)-2-({(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl} oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-[(15Z)-15-tetracosenoylamino]-4-octadecen-1-yl-(6R)-5-acetamido-6-[(1S,2R)-2-({(6R)-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl }oxy)-1,3-dihydroxypropyl]-3,5-didesoxy-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-6-[(1S,2R)-2-({(6R)-5-acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-didésoxy-β-L-thréo-hex-2-ulopyranono syl-(2->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside de (2S,3R,4E)-3-hydroxy-2-[(15Z)-15-tetracosenoylamino]-4-octadécén-1-yle [French] [ACD/IUPAC Name]
15-Tetracosenamide, N-[(1S,2R,3E)-1-[[[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->8)-O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2 ->;3)-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-, (15Z)- [ACD/Index Name]
GD3(d18:1/24:1(15Z))
NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(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: 1507.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 261.0±6.0 kJ/mol
Flash Point: 865.6±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 395.2±0.4 cm3
#H bond acceptors: 32
#H bond donors: 19
#Freely Rotating Bonds: 57
#Rule of 5 Violations: 4
ACD/LogP: 13.42
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 173.63
ACD/KOC (pH 5.5): 62.44
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 172.50
ACD/KOC (pH 7.4): 62.04
Polar Surface Area: 519 Å2
Polarizability: 156.7±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 1184.6±5.0 cm3

Click to predict properties on the Chemicalize site


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