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

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

  • Molecular FormulaC48H92NO12S
  • Average mass907.309 Da
  • Monoisotopic mass906.634583 Da
  • ChemSpider ID34448898

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(2S,3R,4E)-3-Hydroxy-2-[(2-hydroxytetracosanoyl)amino]-4-octadecen-1-yl 3-O-sulfonato-D-galactopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-[(2-hydroxytetracosanoyl)amino]-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-[(2-hydroxytetracosanoyl)amino]-4-octadécén-1-yle [French] [ACD/IUPAC Name]
Tetracosanamide, 2-hydroxy-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-[(2-hydroxtetracosanoyl)amino]octadec-4-en-1-yl 3-O-sulfonato-D-galactopyranoside
2-OH-C24 galactosylceramide sulfate
3-O-sulfo-D-galactosyl-N-(2-hydroxylignoceroyl)sphing-4-enine(1-)
N-(2-hydroxy-tetracosanoyl)-(3-O-sulfo-D-galactosyl)-sphing-4-enine
N-(2-hydroxytetracosanoyl)-(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-(2-hydroxytetracosa; noyl)-(3-O-sulfo-D-galactosyl)sphingosine; major species at pH 7.3. ChEBI CHEBI:83902
      An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) obtained by deprotonation of the sulfo group of N-(2-hydroxytetracosanoyl)-(3-O-sulfo-D-galactosyl)sphingosine; major species at pH 7.3. ChEBI CHEBI:83902

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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:

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