[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-[2-(methylamino)ethyl]phosphinic acid

Base Information

• Chemical Name: [(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-[2-(methylamino)ethyl]phosphinic acid
• CAS No.: 91254-90-9
• Molecular Formula: C37H75 N2 O5 P
• Molecular Weight: 658.98
• Mol file: 91254-90-9.mol

Synonyms:ceramide N-methylaminoethylphosphonate;CMAEPn

Chemical Property of [(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-[2-(methylamino)ethyl]phosphinic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 121.19000
• Density: 0.977g/cm³
• LogP: 11.22330
• XLogP3: 9.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 35
• Exact Mass: 658.54136049
• Heavy Atom Count: 45
• Complexity: 721

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)NC(COP(=O)(CCNC)O)C(C=CCCCCCCCCCCCCC)O
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(CCNC)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

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