ChemSpider 2D Image | N-[(2S,3R,4E)-1-{[alpha-L-erythro-Hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-L-erythro-hexopyranosyl-(1->4)-alpha-L-erythro-hexopyranosyl-(1->4)-beta-D-threo-hexopyranosyl]oxy}-3-hydroxy-4-octadec
en-2-yl]hexadecanamide | C60H110N2O23

N-[(2S,3R,4E)-1-{[α-L-erythro-Hexopyranosyl-(1->3)-2-acetamido-2-deoxy-α-L-erythro-hexopyranosyl-(1->4)-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranosyl]oxy}-3-hydroxy-4-octadec en-2-yl]hexadecanamide

  • Molecular FormulaC60H110N2O23
  • Average mass1227.515 Da
  • Monoisotopic mass1226.749878 Da
  • ChemSpider ID24847242
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 22 defined stereocentres


More details:






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

Hexadecanamide, N-[(1S,2R,3E)-1-[[[O-α-L-erythro-hexopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-α-L-erythro-hexopyranosyl-(1->4)-O-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranos yl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]
N-[(2S,3R,4E)-1-{[α-L-erythro-Hexopyranosyl-(1->3)-2-acetamido-2-deoxy-α-L-erythro-hexopyranosyl-(1->4)-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranosyl]oxy}-3-hydroxy-4-octadec en-2-yl]hexadecanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[α-L-erythro-Hexopyranosyl-(1->3)-2-acetamido-2-desoxy-α-L-erythro-hexopyranosyl-(1->4)-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranosyl]oxy}-3-hydroxy-4-octade cen-2-yl]hexadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[α-L-érythro-Hexopyranosyl-(1->3)-2-acétamido-2-désoxy-α-L-érythro-hexopyranosyl-(1->4)-α-L-érythro-hexopyranosyl-(1->4)-β-D-thréo-hexopyranosyl]oxy}-3-hydroxy-4-octadé cén-2-yl]hexadécanamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 1294.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 218.7±6.0 kJ/mol
Flash Point: 736.8±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 312.6±0.4 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 8.34
ACD/LogD (pH 5.5): 6.61
ACD/BCF (pH 5.5): 61701.82
ACD/KOC (pH 5.5): 93368.13
ACD/LogD (pH 7.4): 6.61
ACD/BCF (pH 7.4): 61701.62
ACD/KOC (pH 7.4): 93367.81
Polar Surface Area: 395 Å2
Polarizability: 123.9±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 948.3±5.0 cm3

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