ChemSpider 2D Image | N-{(2S,3R,4E)-1-[(3,6-Di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxy-4-octadecen-2-yl}dodecanamide | C36H69NO14S2

N-{(2S,3R,4E)-1-[(3,6-Di-O-sulfo-β-D-galactopyranosyl)oxy]-3-hydroxy-4-octadecen-2-yl}dodecanamide

  • Molecular FormulaC36H69NO14S2
  • Average mass804.061 Da
  • Monoisotopic mass803.415955 Da
  • ChemSpider ID35033445

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

Dodecanamide, N-[(1S,2R,3E)-1-[[(3,6-di-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]
N-{(2S,3R,4E)-1-[(3,6-Di-O-sulfo-β-D-galactopyranosyl)oxy]-3-hydroxy-4-octadecen-2-yl}dodecanamid [German] [ACD/IUPAC Name]
N-{(2S,3R,4E)-1-[(3,6-Di-O-sulfo-β-D-galactopyranosyl)oxy]-3-hydroxy-4-octadecen-2-yl}dodecanamide [ACD/IUPAC Name]
N-{(2S,3R,4E)-1-[(3,6-Di-O-sulfo-β-D-galactopyranosyl)oxy]-3-hydroxy-4-octadécén-2-yl}dodécanamide [French] [ACD/IUPAC Name]
N-{(2s,3r,4e)-1-[(3,6-Di-O-Sulfo-β-D-Galactopyranosyl)oxy]-3-Hydroxyoctadec-4-En-2-Yl}dodecanamide
0SG

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.540
Molar Refractivity: 202.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 4
ACD/LogP: 11.20
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 16.37
ACD/KOC (pH 5.5): 13.54
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 16.37
ACD/KOC (pH 7.4): 13.54
Polar Surface Area: 252 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 645.9±5.0 cm3

Click to predict properties on the Chemicalize site


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