PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.




Deprecated ChemSpider Record

You have reached the page for a ChemSpider record that has been deprecated.

This page is not active and is only accessible by directly using this URL. If you have been directed here from another website or database please notify the administrator of that resource. See below for more details.


ChemSpider 2D Image | Trihexosylceramide (d18:1/22:0) | C58H109NO18

Trihexosylceramide (d18:1/22:0)

  • Molecular FormulaC58H109NO18
  • Average mass1108.482 Da
  • Monoisotopic mass1107.764526 Da
  • ChemSpider ID16744895
  • 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 (d18:1/22:0)
71965-57-6 [RN]
Docosanamide, N-[(3E)-1-[[[O-hexopyranosyl-(1->4)-O-hexopyranosyl-(1->4)hexopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]
N-[(4E)-1-{[Hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]docosanamid [German] [ACD/IUPAC Name]
N-[(4E)-1-{[Hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]docosanamide [ACD/IUPAC Name]
N-[(4E)-1-{[Hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]docosanamide [French] [ACD/IUPAC Name]
Ceramide trihexoside
Fabry glycolipid
Gal-α1->4Gal-β1->4Glc-β1->1'Cer
gal-α1->4laccer
More...

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: 1152.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 192.1±6.0 kJ/mol
Flash Point: 650.6±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 295.1±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 4
ACD/LogP: 12.27
ACD/LogD (pH 5.5): 10.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6636586.00
ACD/LogD (pH 7.4): 10.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6636556.50
Polar Surface Area: 307 Å2
Polarizability: 117.0±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 922.7±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement