Diethylene triamine penta(methylene phosphonic acid), disodium salt
Basic information
- CAS
94987-75-4- Standard SMILES
O=P([O-])([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[H+].[H+].[H+].[H+].[H+].[H+].[H+].[H+].[Na+].[Na+]- InChIKey
UCMHSABJWWEVSC-UHFFFAOYSA-L- Molecular formula
- C9H26N3Na2O15P5
- Average molar mass
- 617.16 g/mol
- Monoisotopic mass
- 616.98474068
Overview
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Names & identifiers
- Preferred name
- Diethylene triamine penta(methylene phosphonic acid), disodium salt
- IUPAC
- disodium;N-[2-[bis(phosphonatomethyl)amino]ethyl]-N,N',N'-tris(phosphonatomethyl)ethane-1,2-diamine;hydron
Names & synonyms
UNII-EB6X2O1D2YDiethylene triamine penta(methylene phosphonic acid), disodium salt
Database identifiers
- CAS
94987-75-4- PubChem CID
- 122201366
- UNII
- EB6X2O1D2Y
Properties
Computed structural properties
- Topological polar surface area
- 326 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 663
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Compound notes
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