ChemSpider 2D Image | N-[(2S,3R,4E)-1-{[6-Deoxy-alpha-D-altropyranosyl-(1->4)-[6-deoxy-alpha-D-altropyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl- (1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]hexacosanamide | C82H150N2O31

N-[(2S,3R,4E)-1-{[6-Deoxy-α-D-altropyranosyl-(1->4)-[6-deoxy-α-D-altropyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl- (1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]hexacosanamide

  • Molecular FormulaC82H150N2O31
  • Average mass1660.063 Da
  • Monoisotopic mass1659.022217 Da
  • ChemSpider ID113382410

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 32 of 32 defined stereocentres

More details:

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

Hexacosanamide, N-[(1S,2R,3E)-1-[[[O-6-deoxy-α-D-altropyranosyl-(1->4)-O-[O-6-deoxy-α-D-altropyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(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-{[6-Deoxy-α-D-altropyranosyl-(1->4)-[6-deoxy-α-D-altropyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(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-{[6-Desoxy-α-D-altropyranosyl-(1->4)-[6-desoxy-α-D-altropyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)]-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranos yl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]hexacosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[6-Désoxy-α-D-altropyranosyl-(1->4)-[6-désoxy-α-D-altropyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)]-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranos yl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]hexacosanamide [French] [ACD/IUPAC Name]
Fucalpha1-2Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0)
Leb(d18:1/26:0)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1494.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 258.3±6.0 kJ/mol
Flash Point: 857.5±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 423.3±0.4 cm3
#H bond acceptors: 33
#H bond donors: 19
#Freely Rotating Bonds: 57
#Rule of 5 Violations: 4
ACD/LogP: 17.05
ACD/LogD (pH 5.5): 11.84
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 513 Å2
Polarizability: 167.8±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 1277.2±5.0 cm3

Click to predict properties on the Chemicalize site


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