ChemSpider 2D Image | (2S,3R,4E)-3-Hydroxy-2-{[(2R)-2-hydroxytetracosanoyl]amino}-4-octadecen-1-yl 3-O-sulfonato-beta-D-galactopyranoside | C48H92NO12S

(2S,3R,4E)-3-Hydroxy-2-{[(2R)-2-hydroxytetracosanoyl]amino}-4-octadecen-1-yl 3-O-sulfonato-β-D-galactopyranoside

  • Molecular FormulaC48H92NO12S
  • Average mass907.309 Da
  • Monoisotopic mass906.634583 Da
  • ChemSpider ID30785746

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S,3R,4E)-3-Hydroxy-2-{[(2R)-2-hydroxytetracosanoyl]amino}-4-octadecen-1-yl 3-O-sulfonato-β-D-galactopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-{[(2R)-2-hydroxytetracosanoyl]amino}-4-octadecen-1-yl-3-O-sulfonato-β-D-galactopyranosid [German] [ACD/IUPAC Name]
3-O-Sulfonato-β-D-galactopyranoside de (2S,3R,4E)-3-hydroxy-2-{[(2R)-2-hydroxytetracosanoyl]amino}-4-octadécén-1-yle [French] [ACD/IUPAC Name]
Tetracosanamide, 2-hydroxy-N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-, ion(1-), (2R)- [ACD/Index Name]
(2S,3R,4E)-3-hydroxy-2-{[(2R)-2-hydroxytetracosanoyl]amino}octadec-4-en-1-yl 3-O-sulfonato-β-D-galactopyranoside
1-(3-O-sulfo-β-D-galactosyl)-N-(2R)-2-hydroxy-tetracosanoylsphingosine
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine(1-)
2-hydroxytetracosanoyl sulfatide(1-)
2-hydroxytetracosanoylgalactosylceramide sulfate(1-)
  • Miscellaneous

    • Chemical Class:

      A galactosylceramide sulfate(1-) in which the ceramide N-acyl group is specified as (R)-2-hydroxylignoceroyl. ChEBI CHEBI:75964

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 17.18
ACD/LogD (pH 5.5): 9.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 77029.36
ACD/LogD (pH 7.4): 9.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 77027.92
Polar Surface Area: 224 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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