ChemSpider 2D Image | Tetrahexosylceramide (d18:1/25:0) | C69H128N2O23

Tetrahexosylceramide (d18:1/25:0)

  • Molecular FormulaC69H128N2O23
  • Average mass1353.754 Da
  • Monoisotopic mass1352.890747 Da
  • ChemSpider ID16744953
  • 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 (d18:1/25:0)
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]pentacosanamid e [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]pentacosanami d [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]pentacosanami de [French] [ACD/IUPAC Name]
Pentacosanamide, 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-hydr oxy-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

Density: 1.2±0.1 g/cm3
Boiling Point: 1330.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 225.6±6.0 kJ/mol
Flash Point: 758.4±34.3 °C
Index of Refraction: 1.563
Molar Refractivity: 354.3±0.4 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 4
ACD/LogP: 15.89
ACD/LogD (pH 5.5): 11.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.88
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 395 Å2
Polarizability: 140.4±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 1091.4±5.0 cm3

Click to predict properties on the Chemicalize site






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