ChemSpider 2D Image | (2S,3R,4E)-3-Hydroxy-2-(tetracosanoylamino)-4-octadecen-1-yl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-[2-deoxy-2-(2-oxopropyl)-beta-D-galacto pyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside | C74H134N2O26

(2S,3R,4E)-3-Hydroxy-2-(tetracosanoylamino)-4-octadecen-1-yl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-[2-deoxy-2-(2-oxopropyl)-β-D-galacto pyranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside

  • Molecular FormulaC74H134N2O26
  • Average mass1467.854 Da
  • Monoisotopic mass1466.922485 Da
  • ChemSpider ID76003956

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 21 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 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-[2-deoxy-2-(2-oxopropyl)-β-D-galacto pyranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-(tetracosanoylamino)-4-octadecen-1-yl-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-[2-desoxy-2-(2-oxopropyl)-β-D-galac topyranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-[2-désoxy-2-(2-oxopropyl)-β-D-galactopyranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-glu copyranoside de (2S,3R,4E)-3-hydroxy-2-(tetracosanoylamino)-4-octadécén-1-yle [French] [ACD/IUPAC Name]
Tetracosanamide, N-[(1S,2R,3E)-1-[[[O(6ξ)-5-(acetylamino)-3,5-dideoxy-α-D-gluco-2-nonulopyranonosyl-(2->3)-O-[2-deoxy-2-(2-oxopropyl)-β-D-galactopyranosyl-(1->4)]-O-β-D-galactopyranosyl-(1- >4)-β-D-glucopyranosyl]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: 1403.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 240.0±6.0 kJ/mol
Flash Point: 802.9±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 379.2±0.4 cm3
#H bond acceptors: 28
#H bond donors: 16
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 4
ACD/LogP: 14.56
ACD/LogD (pH 5.5): 7.38
ACD/BCF (pH 5.5): 37220.38
ACD/KOC (pH 5.5): 7185.49
ACD/LogD (pH 7.4): 7.00
ACD/BCF (pH 7.4): 15667.74
ACD/KOC (pH 7.4): 3024.70
Polar Surface Area: 449 Å2
Polarizability: 150.3±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 1161.3±5.0 cm3

Click to predict properties on the Chemicalize site


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