(2S,4S)-Pinnatanine

Base Information

• Chemical Name: (2S,4S)-Pinnatanine
• CAS No.: 35214-74-5
• Molecular Formula: C10H16N2O5
• Molecular Weight: 244.24
• Metabolomics Workbench ID: 43845
• Mol file: 35214-74-5.mol

Synonyms:(2S,4S)-Pinnatanine;2-amino-4-{[(1E)-2-ethenyl-3-hydroxyprop-1-en-1-yl]carbamoyl}-4-hydroxybutanoic acid;CHEBI:143049;LMFA01050445

Chemical Property of (2S,4S)-Pinnatanine

Chemical Property:

• PSA: 132.88000
• LogP: -0.58110
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 244.10592162
• Heavy Atom Count: 17
• Complexity: 327

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC(=CNC(=O)C(CC(C(=O)O)N)O)CO
• Isomeric SMILES: C=C/C(=C\NC(=O)C(CC(C(=O)O)N)O)/CO