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Technology Process of N-(docosanoyl)-4R-hydroxysphinganine

N-(docosanoyl)-4R-hydroxysphinganine

Base Information
  • Chemical Name:N-(docosanoyl)-4R-hydroxysphinganine
  • CAS No.:164576-03-8
  • Molecular Formula:C40H81NO4
  • Molecular Weight:640.07500
  • Hs Code.:
  • UNII:5KR90I1Q75
  • DSSTox Substance ID:DTXSID801344209
  • Wikidata:Q27135582
  • Metabolomics Workbench ID:30694
  • Mol file:164576-03-8.mol
N-(docosanoyl)-4R-hydroxysphinganine

Synonyms:N-(docosanoyl)-4R-hydroxysphinganine;164576-03-8;N-(docosanoyl)-phytoceramide;C22 phytoceramide (t18:0/22:0);N-docosanoyl-4-hydroxysphinganine;5KR90I1Q75;Cer(t18:0/22:0);N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]docosanamide;UNII-5KR90I1Q75;N-((1S,2S,3R)-2,3-Dihydroxy-1-(hydroxymethyl)heptadecyl)docosanamide;Docosanamide, N-((1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl)-;N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-docosanamide;N-behenoylphytoceramide;N-docosanoylphytoceramide;N-behenoylphytosphingosine;N-docosanoylphytosphingosine;N-behenoyl-4-hydroxysphinganine;CHEBI:67024;DTXSID801344209;N-(docosanoyl)-4-hydroxysphinganine;LMSP02030008;N-docosanoyl-(4R)-hydroxysphinganine;PHC-B 18:0/22:0;Q27135582

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Chemical Property of N-(docosanoyl)-4R-hydroxysphinganine
Chemical Property:
  • PSA：89.79000 
  • LogP:11.48930 
  • XLogP3:15.5
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:37
  • Exact Mass:639.61656007
  • Heavy Atom Count:45
  • Complexity:587
Purity/Quality:
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O
  • Isomeric SMILES:CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O
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