ChemSpider 2D Image | alpha-D-galactosyl-N-(hexacosanoyl)-11,12-methylene-C22-sphinganine | C55H107NO8

α-D-galactosyl-N-(hexacosanoyl)-11,12-methylene-C22-sphinganine

  • Molecular FormulaC55H107NO8
  • Average mass910.440 Da
  • Monoisotopic mass909.799683 Da
  • ChemSpider ID29368508

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

Hexacosanamide, N-[(1S,2R)-9-[(1R,2R)-2-decylcyclopropyl]-1-[(α-D-galactopyranosyloxy)methyl]-2-hydroxynonyl]- [ACD/Index Name]
N-[(2S,3R)-10-[(1R,2R)-2-Decylcyclopropyl]-1-(α-D-galactopyranosyloxy)-3-hydroxy-2-decanyl]hexacosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-10-[(1R,2R)-2-Decylcyclopropyl]-1-(α-D-galactopyranosyloxy)-3-hydroxy-2-decanyl]hexacosanamide [ACD/IUPAC Name]
N-[(2S,3R)-10-[(1R,2R)-2-Décylcyclopropyl]-1-(α-D-galactopyranosyloxy)-3-hydroxy-2-décanyl]hexacosanamide [French] [ACD/IUPAC Name]
α-D-galactosyl-N-(hexacosanoyl)-11,12-methylene-C22-sphinganine
07P
N-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(α-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide
SMC124
β-D-galactosyl-N-(hexacosanoyl)-11,12-methylene-C22-dihydrosphingosine
  • Miscellaneous

    • Chemical Class:

      A glycosylceramide in which the glycosyl moiety is <stereo>alpha</stereo>-<stereo>D</stereo>-galactose and the ceramide is <element>N</element>-(hexacosanoyl)-11,12-methylene-C<smallsub>22</smallsub>- sphinganine. ChEBI CHEBI:75218
      A glycosylceramide in which the glycosyl moiety is alpha-D-galactose and the ceramide is N-(hexacosanoyl)-11,12-methylene-C22-; sphinganine. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75218
      A glycosylceramide in which the glycosyl moiety is alpha-D-galactose and the ceramide is N-(hexacosanoyl)-11,12-methylene-C22-sphinganine. ChEBI CHEBI:75218

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

Density: 1.0±0.1 g/cm3
Boiling Point: 949.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.7±6.0 kJ/mol
Flash Point: 528.0±34.3 °C
Index of Refraction: 1.513
Molar Refractivity: 267.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 3
ACD/LogP: 18.59
ACD/LogD (pH 5.5): 16.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 149 Å2
Polarizability: 106.0±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 889.7±5.0 cm3

Click to predict properties on the Chemicalize site


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