ChemSpider 2D Image | (2S,3R,4E)-2-[(17Z)-17-Hexacosenoylamino]-3-hydroxy-4-octadecen-1-yl 2-acetamido-4-O-[(2S,4S,5S)-4-({(4xi)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-glycero-hex-2-ulopyranonosy l}oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-2-deoxy-beta-D-threo-hexopyranosyl-(1->3)-[(4xi)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-glycero-hex-2-ulopyra nonosyl-(2->3)-alpha-L-erythro-hexopyranosyl | C120H208N6O59

(2S,3R,4E)-2-[(17Z)-17-Hexacosenoylamino]-3-hydroxy-4-octadecen-1-yl 2-acetamido-4-O-[(2S,4S,5S)-4-({(4ξ)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hex-2-ulopyranonosy l}oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-2-deoxy-β-D-threo-hexopyranosyl-(1->3)-[(4ξ)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hex-2-ulopyra nonosyl-(2->3)-α-L-erythro-hexopyranosyl

  • Molecular FormulaC120H208N6O59
  • Average mass2678.940 Da
  • Monoisotopic mass2677.345947 Da
  • ChemSpider ID24849713

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 34 of 54 defined stereocentres

More details:

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

(2S,3R,4E)-2-[(17Z)-17-Hexacosenoylamino]-3-hydroxy-4-octadecen-1-yl 2-acetamido-4-O-[(2S,4S,5S)-4-({(4ξ)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hex-2-ulopyranonosy l}oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-2-deoxy-β-D-threo-hexopyranosyl-(1->3)-[(4ξ)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hex-2-ulopyra nonosyl-(2->3)-α-L-erythro-hexopyranosyl [ACD/IUPAC Name]
(2S,3R,4E)-2-[(17Z)-17-Hexacosenoylamino]-3-hydroxy-4-octadecen-1-yl-2-acetamido-4-O-[(2S,4S,5S)-4-({(4ξ)-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hex-2-ulopyranonos yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-2-desoxy-β-D-threo-hexopyranosyl-(1->3)-[(4ξ)-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hex-2-ulop yranonosyl-(2->3)-α-L-erythro-hexopyrano [German] [ACD/IUPAC Name]
17-Hexacosenamide, N-[(1S,2R,3E)-1-[[[O-2-(acetylamino)-4-O-[(2S,4S,5S)-4-[[5-(acetylamino)-3,5-dideoxy-α-D-arabino-2-nonulopyranonosyl]oxy]tetrahydro-3,5-dihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl ]-2-deoxy-β-D-threo-hexopyranosyl-(1->3)-O-[O-5-(acetylamino)-3,5-dideoxy-α-D-arabino-2-nonulopyranonosyl-(2->3)-O-α-L-erythro-hexopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-β-D-threo-hexo pyranosyl-(1->6)]-O-α-L-erythro-hexopyra [ACD/Index Name]
2-Acétamido-4-O-[(2S,4S,5S)-4-({(4ξ)-5-acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycéro-hex-2-ulopyranonosyl}oxy)-3,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]-2-dé soxy-β-D-thréo-hexopyranosyl-(1->3)-[(4ξ)-5-acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycéro-hex-2-ulopyranonosyl-(2->3)-α-L-érythro-hexopyranosyl-(1->4)-2-acétamido-2- désoxy-β-D-thréo-hexopyranosyl-(1->6)]-al [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 641.3±0.4 cm3
#H bond acceptors: 65
#H bond donors: 37
#Freely Rotating Bonds: 80
#Rule of 5 Violations: 4
ACD/LogP: 10.66
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 1020 Å2
Polarizability: 254.2±0.5 10-24cm3
Surface Tension: 86.4±5.0 dyne/cm
Molar Volume: 1820.6±5.0 cm3

Click to predict properties on the Chemicalize site


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