ChemSpider 2D Image | Tetrahexosylceramide (d18:1/18:0) | C62H114N2O23

Tetrahexosylceramide (d18:1/18:0)

  • Molecular FormulaC62H114N2O23
  • Average mass1255.568 Da
  • Monoisotopic mass1254.781250 Da
  • ChemSpider ID16744946

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 21 of 22 defined stereocentres

More details:

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

Tetrahexosylceramide (d18:1/18:0)
11034-93-8 [RN]
N-[(2S,3R,4E)-1-{[2-Acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-mannopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octadecanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[2-Acetamido-2-desoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-mannopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[2-Acétamido-2-désoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-mannopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]octadécanamid e [French] [ACD/IUPAC Name]
Octadecanamide, N-[(1S,2R,3E)-1-[[[O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->3)-O-α-D-galactopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->4)-β-D-mannopyranosyl]oxy]methyl]-2-hydro xy-3-heptadecen-1-yl]- [ACD/Index Name]
CQH
Cytolipin K
GalNAc-β1->3Gal-α1->3Gal-β1->4Glc-β1->1'Cer
Ganglioside Gb4
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 1302.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 220.3±6.0 kJ/mol
Flash Point: 741.7±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 321.8±0.4 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 4
ACD/LogP: 12.17
ACD/LogD (pH 5.5): 9.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2181346.25
ACD/LogD (pH 7.4): 9.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2181336.75
Polar Surface Area: 395 Å2
Polarizability: 127.6±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 980.1±5.0 cm3

Click to predict properties on the Chemicalize site


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