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ChemSpider 2D Image | Trihexosylceramide (d18:1/18:0) | C54H101NO18

Trihexosylceramide (d18:1/18:0)

  • Molecular FormulaC54H101NO18
  • Average mass1052.376 Da
  • Monoisotopic mass1051.701904 Da
  • ChemSpider ID16744893
  • Double-bond stereo - Double-bond stereo

More details:

Date of deprecation: 13:25, Aug 12, 2015
Reason for deprecation: Deprecate record: 17 undefined sterocentres

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

Trihexosylceramide (d18:1/18:0)
71965-57-6 [RN]
N-[(4E)-1-{[Hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octadecanamid [German] [ACD/IUPAC Name]
N-[(4E)-1-{[Hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octadecanamide [ACD/IUPAC Name]
N-[(4E)-1-{[Hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]octadécanamide [French] [ACD/IUPAC Name]
Octadecanamide, N-[(3E)-1-[[[O-hexopyranosyl-(1->4)-O-hexopyranosyl-(1->4)hexopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]
Ceramide trihexoside
Fabry glycolipid

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

C05796 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1132.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 188.5±6.0 kJ/mol
Flash Point: 638.5±34.3 °C
Index of Refraction: 1.557
Molar Refractivity: 276.6±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 4
ACD/LogP: 10.15
ACD/LogD (pH 5.5): 8.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1055074.25
ACD/LogD (pH 7.4): 8.54
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1055070.75
Polar Surface Area: 307 Å2
Polarizability: 109.7±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 859.0±5.0 cm3

Click to predict properties on the Chemicalize site