ChemSpider 2D Image | (2S,3R)-3-Hydroxy-2-[(2-hydroxyhexacosanoyl)amino]octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl phosphate | C56H109NO17P

(2S,3R)-3-Hydroxy-2-[(2-hydroxyhexacosanoyl)amino]octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl phosphate

  • Molecular FormulaC56H109NO17P
  • Average mass1099.436 Da
  • Monoisotopic mass1098.743896 Da
  • ChemSpider ID28532857

  • Charge - Charge

    defined stereocentres - 12 of 14 defined stereocentres

More details:

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

(2S,3R)-3-Hydroxy-2-[(2-hydroxyhexacosanoyl)amino]octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl phosphate [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2-[(2-hydroxyhexacosanoyl)amino]octadecyl-(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexylphosphat [German] [ACD/IUPAC Name]
Phosphate de (2S,3R)-3-hydroxy-2-[(2-hydroxyhexacosanoyl)amino]octadécyle et de (1R,2R,3R,4R,5S,6R)-2,3,4,5-tétrahydroxy-6-(D-mannopyranosyloxy)cyclohexyle [French] [ACD/IUPAC Name]
Phosphoric acid, (2S,3R)-3-hydroxy-2-[(2-hydroxy-1-oxohexacosyl)amino]octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl ester, ion(1-) [ACD/Index Name]
Man-1-2-Ins-1-P-Cer(d18:0/2-OH-26:0)(1-)
  • Miscellaneous

    • Chemical Class:

      A mannosylinositol phosphorylceramide(1-) having a hexacosanoyl group amide-linked to a C18 sphinganine base, with hydroxylation at C-2 of the C26 very; -long-chain fatty acid. ChEBI CHEBI:65159
      A mannosylinositol phosphorylceramide(1-) having a hexacosanoyl group amide-linked to a C18 sphinganine base, with hydroxylation at C-2 of the C26 very-long-chain fatty acid. ChEBI CHEBI:65159

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 4
ACD/LogP: 14.56
ACD/LogD (pH 5.5): 7.76
ACD/BCF (pH 5.5): 70384.88
ACD/KOC (pH 5.5): 11068.32
ACD/LogD (pH 7.4): 7.66
ACD/BCF (pH 7.4): 56499.63
ACD/KOC (pH 7.4): 8884.81
Polar Surface Area: 318 Å2
Polarizability:
Surface Tension:
Molar Volume:

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