N-hexadecanoylsphinga-(4E,8E)-dienine

Base Information

• Chemical Name: N-hexadecanoylsphinga-(4E,8E)-dienine
• CAS No.: 141980-53-2
• Molecular Formula: C₃₄H₆₅NO₃
• Molecular Weight: 535.895
• ChEMBL ID: CHEMBL37460
• DSSTox Substance ID: DTXSID501131952
• Nikkaji Number: J1.898.620E,J670.706H
• Wikidata: Q105012200

Synonyms:CHEMBL37460;CHEBI:157623;DTXSID501131952;BDBM50289521;N-hexadecanoylsphinga-(4E,8E)-dienine;141980-53-2;(4E,8E)-N-hexadecanoylsphinga-4,8-dienine;(2s,3r,4e,8e)-2-hexadecanoylamino-4,8-octadecadien-1,3-diol;(2S,3S,4E,8E)-N-hexadecanoyl-2-amino-1,3-octadeca-4,8-dienediol;Hexadecanoic acid ((3E,7E)-(1S,2R)-2-hydroxy-1-hydroxymethyl-heptadeca-3,7-dienyl)-amide;N-[(1S,2R,3E,7E)-2-Hydroxy-1-(hydroxymethyl)-3,7-heptadecadien-1-yl]hexadecanamide

Chemical Property of N-hexadecanoylsphinga-(4E,8E)-dienine

Chemical Property:

• XLogP3: 11.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 29
• Exact Mass: 535.49644494
• Heavy Atom Count: 38
• Complexity: 546

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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCC=CCCCCCCCCC)O
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CC/C=C/CCCCCCCCC)O

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