Ammonium (2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl hydrogen phosphate

Base Information

• Chemical Name: Ammonium (2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl hydrogen phosphate
• CAS No.: 474943-70-9
• Molecular Formula: C26H55N2O6P
• Molecular Weight: 522.7
• DSSTox Substance ID: DTXSID10677045
• Mol file: 474943-70-9.mol

Synonyms:474943-70-9;Ammonium (2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl hydrogen phosphate;azanium;[(E,2S,3R)-3-hydroxy-2-(octanoylamino)octadec-4-enyl] hydrogen phosphate;DTXSID10677045;C8 Ceramide-1-Phosphate (d18:1/8:0), N-octanoyl-ceramide-1-phosphate (ammonium salt), powder

Chemical Property of Ammonium (2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl hydrogen phosphate

Chemical Property:

• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 24
• Exact Mass: 522.37977448
• Heavy Atom Count: 35
• Complexity: 549

Purity/Quality:

99% ^*data from raw suppliers

N-OCTANOYLCERAMIDE-1-PHOSPHATE AMMONIUM SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)(O)[O-])NC(=O)CCCCCCC)O.[NH4+]
• Isomeric SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)[O-])NC(=O)CCCCCCC)O.[NH4+]

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