Etidronic acid

Chemical Information
Etidronic acid is a 1,1-bis(phosphonic acid) that is (ethane-1,1-diyl)bis(phosphonic acid) having a hydroxy substituent at the 1-position. It inhibits the formation, growth, and dissolution of hydroxyapatite crystals by chemisorption to calcium phosphate surfaces. It has a role as an antineoplastic agent, a chelator and a bone density conservation agent. It is a conjugate acid of an etidronic acid(2-).
| CAS Number | 2809-21-4 |
| PubChem CID | 3305 |
| IUPAC Name | (1-hydroxy-1-phosphonoethyl)phosphonic acid |
| Molecular Formula | C2H8O7P2 |
| Molecular Weight | 206.03 |
| XLogP | -3.7 |
| Topological Polar Surface Area | 135 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 211 |
| Property | Value |
|---|---|
| Molecular Weight | 206.03 |
| XLogP3 | -3.7 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 205.97452659 |
| Monoisotopic Mass | 205.97452659 |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 211 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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