Ammonium (2S,3R,4E)-2-acetamido-3-hydroxyoctadec-4-en-1-yl hydrogen phosphate

Base Information

• Chemical Name: Ammonium (2S,3R,4E)-2-acetamido-3-hydroxyoctadec-4-en-1-yl hydrogen phosphate
• CAS No.: 474943-68-5
• Molecular Formula: C20H43N2O6P
• Molecular Weight: 438.5
• DSSTox Substance ID: DTXSID50677044
• Mol file: 474943-68-5.mol

Synonyms:474943-68-5;Ammonium (2S,3R,4E)-2-acetamido-3-hydroxyoctadec-4-en-1-yl hydrogen phosphate;azanium;[(E,2S,3R)-2-acetamido-3-hydroxyoctadec-4-enyl] hydrogen phosphate;DTXSID50677044;C2 Ceramide-1-Phosphate (d18:1/2:0), N-acetoyl-ceramide-1-phosphate (ammonium salt), powder

Chemical Property of Ammonium (2S,3R,4E)-2-acetamido-3-hydroxyoctadec-4-en-1-yl hydrogen phosphate

Chemical Property:

• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 18
• Exact Mass: 438.28587409
• Heavy Atom Count: 29
• Complexity: 463

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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