D/L-histidine | SBID = 1299 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 13
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 3.0
Number of H-Bond Acceptors: 3.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C6H9N3O2
M / g/mol: 155.15456
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, amino acid, typical guest
  • Name: D/L-histidine
  • Preferred Abbreviation: D/L-His
  • IUPAC Name:
  • CAS:
  • CID: -445
  • InChiKey: HNDVDQJCIGZPNO-UHFFFAOYSA-N
  • InChi: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)
  • CanoSmiles: NC(C(=O)O)Cc1c[nH]cn1
  • IsoSmiles: O=C(O)C(CC1=CNC=N1)N