ChemSpider 2D Image | (2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl 3-O-sulfonato-D-galactopyranoside | C42H80NO11S

(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl 3-O-sulfonato-D-galactopyranoside

  • Molecular FormulaC42H80NO11S
  • Average mass807.150 Da
  • Monoisotopic mass806.545776 Da
  • ChemSpider ID34448887

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl 3-O-sulfonato-D-galactopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl-3-O-sulfonato-D-galactopyranosid [German] [ACD/IUPAC Name]
3-O-Sulfonato-D-galactopyranoside de (2S,3R,4E)-3-hydroxy-2-(stearoylamino)-4-octadécén-1-yle [French] [ACD/IUPAC Name]
Octadecanamide, N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-, ion(1-) [ACD/Index Name]
(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 3-O-sulfonato-D-galactopyranoside
(3O-sulfo-D-galactosyl)-N-octadecanoylsphing-4-enine(1-)
C18 galactosylceramide sulfate
C18 sulfatide
N-(octadecanoyl)-(3O-sulfo-D-galactosyl)-sphing-4-enine
N-stearoyl-(3-O-sulfo-D-galactosyl)sphingosine(1-)
  • Miscellaneous

    • Chemical Class:

      An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) obtained by deprotonation of the sulfo group of N-stearoyl-(3-O-sulfo-D-galactosyl)sphingosine; major species at pH 7.3. ChEBI CHEBI:83874

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 4
ACD/LogP: 14.51
ACD/LogD (pH 5.5): 7.98
ACD/BCF (pH 5.5): 98591.88
ACD/KOC (pH 5.5): 13226.16
ACD/LogD (pH 7.4): 7.98
ACD/BCF (pH 7.4): 98590.26
ACD/KOC (pH 7.4): 13225.94
Polar Surface Area: 203 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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