ChemSpider 2D Image | N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-beta-D-threo-hexopyranosyl)oxy]-4-octadecen-2-yl}tetracosanamide | C48H93NO11S

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

  • Molecular FormulaC48H93NO11S
  • Average mass892.317 Da
  • Monoisotopic mass891.646912 Da
  • ChemSpider ID24823255
  • 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

N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-β-D-threo-hexopyranosyl)oxy]-4-octadecen-2-yl}tetracosanamid [German] [ACD/IUPAC Name]
N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-β-D-threo-hexopyranosyl)oxy]-4-octadecen-2-yl}tetracosanamide [ACD/IUPAC Name]
N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-β-D-thréo-hexopyranosyl)oxy]-4-octadécén-2-yl}tétracosanamide [French] [ACD/IUPAC Name]
Tetracosanamide, N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-β-D-threo-hexopyranosyl)oxy]methyl]-3-heptadecen-1-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.521
Molar Refractivity: 247.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 17.70
ACD/LogD (pH 5.5): 10.14
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 198328.55
ACD/LogD (pH 7.4): 10.14
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 198325.28
Polar Surface Area: 200 Å2
Polarizability: 98.1±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 813.2±5.0 cm3

Click to predict properties on the Chemicalize site






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