ChemSpider 2D Image | (15Z)-N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-beta-D-threo-hexopyranosyl)oxy]-4-octadecen-2-yl}-15-tetracosenamide | C48H91NO11S

(15Z)-N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-β-D-threo-hexopyranosyl)oxy]-4-octadecen-2-yl}-15-tetracosenamide

  • Molecular FormulaC48H91NO11S
  • Average mass890.301 Da
  • Monoisotopic mass889.631287 Da
  • ChemSpider ID24823257

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(15Z)-N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-β-D-threo-hexopyranosyl)oxy]-4-octadecen-2-yl}-15-tetracosenamid [German] [ACD/IUPAC Name]
(15Z)-N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-β-D-threo-hexopyranosyl)oxy]-4-octadecen-2-yl}-15-tetracosenamide [ACD/IUPAC Name]
(15Z)-N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-β-D-thréo-hexopyranosyl)oxy]-4-octadécén-2-yl}-15-tétracosénamide [French] [ACD/IUPAC Name]
15-Tetracosenamide, N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-β-D-threo-hexopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-, (15Z)- [ACD/Index Name]
[(2R,5S,6R)-3,5-dihydroxy-2-{[(2S,3R,4E)-3-hydroxy-2-[(15Z)-tetracos-15-enamido]octadec-4-en-1-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid
[R-[R*,S*-(E)]]-N-[2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-15-Tetracosenamide
[R-[R*,S*-(E)]]-N-[2-hydroxy-1-[[(3-O-sulfo-β-δ-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-15-Tetracosenamide
3-O-Sulfogalactosylceramide
3-O-Sulfogalactosylceramide (d18:1/24:1(15Z))
3-O-sulfo-β-D-galactosylceramide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.526
Molar Refractivity: 247.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 4
ACD/LogP: 17.18
ACD/LogD (pH 5.5): 10.16
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 204117.50
ACD/LogD (pH 7.4): 10.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 204114.14
Polar Surface Area: 200 Å2
Polarizability: 98.1±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 806.5±5.0 cm3

Click to predict properties on the Chemicalize site


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