zoledronate | SBID = 1460 | Compound | Custom Molecule

Struc Structure

Download Image

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: C5H6N2O7P2----
M / g/mol: 268.057862
Complexity:
Number of Conformers:

Identifiers

  • Tags: drug
  • Name: zoledronate
  • Preferred Abbreviation: zoledronate
  • IUPAC Name:
  • CAS:
  • CID: -545
  • InChiKey: XRASPMIURGNCCH-UHFFFAOYSA-J
  • InChi: InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)/p-4
  • CanoSmiles: [O-]P(C(CN1C=NC=C1)(O)P([O-])([O-])=O)([O-])=O
  • IsoSmiles: [O-]P(C(CN1C=NC=C1)(O)P([O-])([O-])=O)([O-])=O