ChemSpider 2D Image | (2S,3R,4E)-3-Hydroxy-2-(tetracosanoylamino)-4-octadecen-1-yl 2-acetamido-2-deoxy-alpha-L-erythro-hexopyranosyl-(1->4)-[(4xi)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-glycero-h ex-2-ulopyranonosyl-(2->3)]-alpha-L-erythro-hexopyranosyl-(1->4)-beta-D-threo-hexopyranoside | C73H133N3O26

(2S,3R,4E)-3-Hydroxy-2-(tetracosanoylamino)-4-octadecen-1-yl 2-acetamido-2-deoxy-α-L-erythro-hexopyranosyl-(1->4)-[(4ξ)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-h ex-2-ulopyranonosyl-(2->3)]-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranoside

  • Molecular FormulaC73H133N3O26
  • Average mass1468.842 Da
  • Monoisotopic mass1467.917725 Da
  • ChemSpider ID24848814

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 23 defined stereocentres

More details:

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

(2S,3R,4E)-3-Hydroxy-2-(tetracosanoylamino)-4-octadecen-1-yl 2-acetamido-2-deoxy-α-L-erythro-hexopyranosyl-(1->4)-[(4ξ)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-h ex-2-ulopyranonosyl-(2->3)]-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-(tetracosanoylamino)-4-octadecen-1-yl-2-acetamido-2-desoxy-α-L-erythro-hexopyranosyl-(1->;4)-[(4ξ)-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero -hex-2-ulopyranonosyl-(2->3)]-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-L-érythro-hexopyranosyl-(1->4)-[(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)-β-D-thréo-hexopyranoside de (2S,3R,4E)-3-hydroxy-2-(tetracosanoylamino)-4-octadécén-1-yle [French] [ACD/IUPAC Name]
Tetracosanamide, N-[(1S,2R,3E)-1-[[[O-2-(acetylamino)-2-deoxy-α-L-erythro-hexopyranosyl-(1->4)-O-[5-(acetylamino)-3,5-dideoxy-α-D-arabino-2-nonulopyranonosyl-(2->3)]-O-α-L-erythro-hexopyra nosyl-(1->4)-β-D-threo-hexopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1437.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 246.7±6.0 kJ/mol
Flash Point: 822.9±34.3 °C
Index of Refraction: 1.570
Molar Refractivity: 378.2±0.4 cm3
#H bond acceptors: 29
#H bond donors: 17
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 4
ACD/LogP: 14.13
ACD/LogD (pH 5.5): 7.03
ACD/BCF (pH 5.5): 20113.93
ACD/KOC (pH 5.5): 4623.31
ACD/LogD (pH 7.4): 6.65
ACD/BCF (pH 7.4): 8479.09
ACD/KOC (pH 7.4): 1948.97
Polar Surface Area: 461 Å2
Polarizability: 149.9±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 1152.7±5.0 cm3

Click to predict properties on the Chemicalize site


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