Found 1 result

Search term: CDZMLEFFZGLIAZ-PWIBDSRESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{(2S,3S,4R)-1-(alpha-D-Galactopyranosyloxy)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-2-octanyl}hexacosanamide | C52H94N2O10

N-{(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-2-octanyl}hexacosanamide

  • Molecular FormulaC52H94N2O10
  • Average mass907.310 Da
  • Monoisotopic mass906.690857 Da
  • ChemSpider ID128434321

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

N-{(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-2-octanyl}hexacosanamid [German] [ACD/IUPAC Name]
N-{(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-2-octanyl}hexacosanamide [ACD/IUPAC Name]
N-{(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-8-oxo-8-[(6-phénylhexyl)amino]-2-octanyl}hexacosanamide [French] [ACD/IUPAC Name]
(5R,6S,7S)-5,6-dihydroxy-7-hexacosanamido-8-(α-D-galactosyloxy)-N-(6-phenylhexyl)octanamide
(5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-hexacosanamido-N-(6-phenylhexyl)octanamide
(5R,6S,7S)-8-(α-D-galactopyranosyloxy)-7-hexacosanamido-5,6-dihydroxy-N-(6-phenylhexyl)octanamide
N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamide
α-GSA[26,6P]
  • Miscellaneous

    • Chemical Class:

      A synthetic alpha-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(hexacosanoylamino)-8-oxo-8-[(6-phenylhexyl)amino]octyl moiety at O-1. ChEBI CHEBI:166879

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1029.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.6±3.0 kJ/mol
Flash Point: 576.5±34.3 °C
Index of Refraction: 1.539
Molar Refractivity: 257.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 4
ACD/LogP: 12.13
ACD/LogD (pH 5.5): 10.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.83
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 198 Å2
Polarizability: 102.2±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 822.9±5.0 cm3

Click to predict properties on the Chemicalize site


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