ChemSpider 2D Image | N-[(2S,3S,4S)-1-(alpha-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]hexacosanamide | C50H99NO9

N-[(2S,3S,4S)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]hexacosanamide

  • Molecular FormulaC50H99NO9
  • Average mass858.322 Da
  • Monoisotopic mass857.731995 Da
  • ChemSpider ID23341098

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

Hexacosanamide, N-[(1S,2S,3S)-1-[(α-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl]- [ACD/Index Name]
N-[(2S,3S,4S)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]hexacosanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4S)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]hexacosanamide [ACD/IUPAC Name]
N-[(2S,3S,4S)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadécanyl]hexacosanamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL510025/
N-((2S,3S,4S)-3,4-dihydroxy-1-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)octadecan-2-yl)hexacosanamide
N-[(2S,3S,4S)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 939.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 155.1±6.0 kJ/mol
Flash Point: 522.2±34.3 °C
Index of Refraction: 1.512
Molar Refractivity: 247.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 4
ACD/LogP: 15.96
ACD/LogD (pH 5.5): 14.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 169 Å2
Polarizability: 98.2±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 825.2±5.0 cm3

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