etidronate | SBID = 1461 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: -4.0
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: C2H4O7P2----
M / g/mol: 201.996482
Complexity:
Number of Conformers:

Identifiers

  • Tags: drug, charged
  • Name: etidronate
  • Preferred Abbreviation: etidronate
  • IUPAC Name:
  • CAS:
  • CID: -546
  • InChiKey: DBVJJBKOTRCVKF-UHFFFAOYSA-J
  • InChi: InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)/p-4
  • CanoSmiles: CC(P(=O)([O-])[O-])(P(=O)([O-])[O-])O
  • IsoSmiles: O=P([O-])(C(C)(P([O-])([O-])=O)O)[O-]