Phosphonic acid, [2-phosphono-1-(4-pyridinyl)ethyl]-
Basic information
- CAS
652989-82-7- Standard SMILES
O=P(O)(O)CC(c1ccncc1)P(=O)(O)O- InChIKey
LMEUGMVMKAWITH-UHFFFAOYSA-N- Molecular formula
- C7H11NO6P2
- Average molar mass
- 267.11 g/mol
- Monoisotopic mass
- 267.00616107
Names & identifiers
- Preferred name
- Phosphonic acid, [2-phosphono-1-(4-pyridinyl)ethyl]-
- IUPAC
- (2-phosphono-1-pyridin-4-ylethyl)phosphonic acid
Names & synonyms
652989-82-7Phosphonic acid, [2-phosphono-1-(4-pyridinyl)ethyl]-NSC7239921-(4-pyridyl)ethane-1,2-bisphosphonateCHEMBL54056DTXSID10328101NSC-723992[1-(Pyridin-4-yl)ethane-1,2-diyl]bis(phosphonic acid)
Database identifiers
- CAS
652989-82-7- PubChem CID
- 406076
- DTXSID
DTXSID10328101- ChEMBL
CHEMBL54056- Nikkaji
- J3.392.719C
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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