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Technology Process of (2S,4S)-Pinnatanine

(2S,4S)-Pinnatanine

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

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

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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
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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
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