ChemSpider 2D Image | N-[(2S,3R,4E)-1-{[alpha-D-Galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]hexacosanamide | C62H117NO18

N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]hexacosanamide

  • Molecular FormulaC62H117NO18
  • Average mass1164.588 Da
  • Monoisotopic mass1163.827026 Da
  • ChemSpider ID4593728

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 17 defined stereocentres

More details:

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

Hexacosanamide, N-[(1S,2R,3E)-1-[[[O-α-D-galactopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]
N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]hexacosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]hexacosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]hexacosanamide [French] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[α-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
Gal α1,3 Gal β1,4 Glc β1,1 Cer
Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0)
Galalpha3Galbeta4Glcbeta1Cer
hexacosanamide, N-[(1S,2R,3E)-1-[[[O-α-D-galactopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecenyl]-
iGb3
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

nchembio.2007.19-comp35 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1176.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 196.5±6.0 kJ/mol
Flash Point: 665.1±34.3 °C
Index of Refraction: 1.549
Molar Refractivity: 313.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 4
ACD/LogP: 14.19
ACD/LogD (pH 5.5): 11.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.80
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 307 Å2
Polarizability: 124.3±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 986.4±5.0 cm3

Click to predict properties on the Chemicalize site


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