ChemSpider 2D Image | N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-beta-D-threo-hexopyranosyl)oxy]-4-octadecen-2-yl}docosanamide | C46H89NO11S

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

  • Molecular FormulaC46H89NO11S
  • Average mass864.264 Da
  • Monoisotopic mass863.615662 Da
  • ChemSpider ID24823252

  • 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

Docosanamide, N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-β-D-threo-hexopyranosyl)oxy]methyl]-3-heptadecen-1-yl]- [ACD/Index Name]
N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-β-D-threo-hexopyranosyl)oxy]-4-octadecen-2-yl}docosanamid [German] [ACD/IUPAC Name]
N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-β-D-threo-hexopyranosyl)oxy]-4-octadecen-2-yl}docosanamide [ACD/IUPAC Name]
N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-β-D-thréo-hexopyranosyl)oxy]-4-octadécén-2-yl}docosanamide [French] [ACD/IUPAC Name]
[(2R,5S,6R)-2-{[(2S,3R)-2-docosanamido-3-hydroxyoctadec-4-en-1-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid
[(2R,5S,6R)-2-{[(2S,3R,4E)-2-docosanamido-3-hydroxyoctadec-4-en-1-yl]oxy}-3,5-dihydroxy-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]-Docosanamide
[R-[R*,S*-(E)]]-N-[2-hydroxy-1-[[(3-O-sulfo-β-δ-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-Docosanamide
265096-83-1 [RN]
3-O-Sulfogalactosylceramide
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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: 1.522
Molar Refractivity: 238.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 4
ACD/LogP: 16.64
ACD/LogD (pH 5.5): 9.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 73325.23
ACD/LogD (pH 7.4): 9.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 73324.02
Polar Surface Area: 200 Å2
Polarizability: 94.5±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 781.3±5.0 cm3

Click to predict properties on the Chemicalize site


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