ChemSpider 2D Image | 1-O-(alpha-D-galactopyranosyl)-N-tetracosanyl-2-aminononane-1,3,4-triol | C39H77NO9

1-O-(α-D-galactopyranosyl)-N-tetracosanyl-2-aminononane-1,3,4-triol

  • Molecular FormulaC39H77NO9
  • Average mass704.030 Da
  • Monoisotopic mass703.559814 Da
  • ChemSpider ID2104817

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1-O-(α-D-galactopyranosyl)-N-tetracosanyl-2-aminononane-1,3,4-triol
383187-82-4 [RN]
N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-nonanyl]tetracosanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-nonanyl]tetracosanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-nonanyl]tétracosanamide [French] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxynonan-2-yl]tetracosanamide
Tetracosanamide, N-[(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]-2,3-dihydroxyoctyl]- [ACD/Index Name]
(2S,3S,4R)-1-O-(α-D-galactopyranosyl)-N-tetracosanyl-2-aminononane-1,3,4-triol
CHEBI:495150
FEE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9892753 [DBID]
  • Miscellaneous

    • Chemical Class:

      A glycophytoceramide comprising (2<stereo>S</stereo>,3<stereo>S</stereo>,4<stereo>R</stereo>)-2-aminononane-1,3,4-triol having an <stereo>alpha</stereo>-<stereo>D</stereo>-galctopyranosyl residue at t he O-1 position and an tetracosanoyl group attached to the nitrogen. ChEBI CHEBI:495150
      A glycophytoceramide comprising (2S,3S,4R)-2-aminononane-1,3,4-triol having an alpha-D-galctopyranosyl residue at t; he O-1 position and an tetracosanoyl group attached to the nitrogen. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:495150
      A glycophytoceramide comprising (2S,3S,4R)-2-aminononane-1,3,4-triol having an alpha-D-galctopyranosyl residue at the O-1 position and an tetracosanoyl group attached to the nitrogen. ChEBI CHEBI:495150

    • Bio Activity:

      Biochemicals & small molecules/Agonists & activators Hello Bio HB4004
      Cell process/Immunomodulation/Natural killer T cells Hello Bio HB4004
      iNKT cell glycolipid agonist Hello Bio HB4004
      Truncated analog of alpha-GalCer. iNKT cell glycolipid agonist. Immunosuppressive. Th2 polarizing. Stimulation of NKT with OCH results in release of primarily Th2 cytokine compared to stimulation with alpha-GalCer, which results in release of a mixture of Th1 and Th2 cytokines. Induces stronger interleukin-4 (IL-4) secretion and weaker interferon-gamma (IFN-gamma) secretion than alpha-GalCer both in vitro and in vivo. Inducer of interleukin-10 (IL-10) and suppressor of diabetes. Shown to prevent experimental autoimmune encephalomyelitis (EAE) in mice, an animal model of multiple sclerosis. Has beneficial effects on type I diabetes in NOD mice. Suppressor of collagen-induced arthritis. Might be useful for immunotherapy of transplant rejection. Hello Bio HB4004

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

Density: 1.1±0.1 g/cm3
Boiling Point: 861.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.3±6.0 kJ/mol
Flash Point: 475.0±34.3 °C
Index of Refraction: 1.518
Molar Refractivity: 196.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 4
ACD/LogP: 10.11
ACD/LogD (pH 5.5): 9.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2135240.50
ACD/LogD (pH 7.4): 9.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2135224.00
Polar Surface Area: 169 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 649.4±5.0 cm3

Click to predict properties on the Chemicalize site


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