Basic information
- CAS
334708-62-2- Standard SMILES
O=P(O)(O)C(O)(CCc1cccnc1)P(=O)(O)O.[Na+]- InChIKey
GYQCDCSRFCUDMH-UHFFFAOYSA-N- Molecular formula
- C8H13NNaO7P2+
- Average molar mass
- 320.13 g/mol
- Monoisotopic mass
- 320.00649503
Names & identifiers
- Preferred name
- Sodium;(1-hydroxy-1-phosphono-3-pyridin-3-ylpropyl)phosphonic acid
- IUPAC
- sodium (1-hydroxy-1-phosphono-3-pyridin-3-ylpropyl)phosphonic acid
Names & synonyms
334708-62-2DTXSID60714752NSC722601sodium;(1-hydroxy-1-phosphono-3-pyridin-3-ylpropyl)phosphonic acidNSC-7226013-(3-pyridyl)-1-hydroxy-propane-1,1-bisphosphonate (monosodium salt)
Database identifiers
- CAS
334708-62-2- PubChem CID
- 54608564
- DTXSID
DTXSID60714752
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 1
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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