pamidronate | SBID = 1465 | 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: 0.0
Number of H-Bond Donors: 6.0
Number of H-Bond Acceptors: 8.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C3H11NO7P2
M / g/mol: 235.069462
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: pamidronate
  • Preferred Abbreviation:
  • IUPAC Name:
  • CAS:
  • CID: -550
  • InChiKey: WRUUGTRCQOWXEG-UHFFFAOYSA-N
  • InChi: InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)
  • CanoSmiles: NCCC(P(=O)(O)O)(P(=O)(O)O)O
  • IsoSmiles: OC(P(O)(O)=O)(P(O)(O)=O)CCN