Basic information
- Standard SMILES
COC(=O)C(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)O- InChIKey
LZXTZCBHFMWPFD-UHFFFAOYSA-N- Molecular formula
- C20H20F4O10P2
- Average molar mass
- 558.3 g/mol
Names & identifiers
- Preferred name
- 2,2-Di{4-[difluoro(phosphono)methyl]benzyl}-3-methoxy-3-oxopropanoic acid
- IUPAC
- 2,2-bis[[4-[difluoro(phosphono)methyl]phenyl]methyl]-3-methoxy-3-oxopropanoic acid
Names & synonyms
CHEMBL90702,2-Di{4-[difluoro(phosphono)methyl]benzyl}-3-methoxy-3-oxopropanoic acidSCHEMBL6947267BDBM501423082,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-malonic acid monomethyl ester
Database identifiers
- PubChem CID
- 21265722
- ChEMBL
CHEMBL9070
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 846
Related reactions
1 records
Compound notes
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