2-[Bis(phosphonomethyl)amino]butanedioic acid
Basic information
- CAS
70008-54-7- Standard SMILES
O=C(O)CC(C(=O)O)N(CP(=O)(O)O)CP(=O)(O)O- InChIKey
HHYWZGRWGMVMPK-UHFFFAOYSA-N- Molecular formula
- C6H13NO10P2
- Average molar mass
- 321.12 g/mol
- Monoisotopic mass
- 321.00146961
Names & identifiers
- Preferred name
- 2-[Bis(phosphonomethyl)amino]butanedioic acid
- IUPAC
- 2-[bis(phosphonomethyl)amino]butanedioic acid
Names & synonyms
SCHEMBL2984385
Database identifiers
- CAS
70008-54-7- PubChem CID
- 112186
Properties
Computed structural properties
- XLogP
- -6.3
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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