Citrate | SBID = 1751 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: -3.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 7.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C6H5O7---
M / g/mol: 189.0997
Complexity:
Number of Conformers:

Identifiers

  • Tags: anion, typical guest, charged
  • Name: Citrate
  • Preferred Abbreviation: Citrate
  • IUPAC Name:
  • CAS:
  • CID: -704
  • InChiKey: KRKNYBCHXYNGOX-UHFFFAOYSA-K
  • InChi: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
  • CanoSmiles: [O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O
  • IsoSmiles: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O