Diethylene triamine penta(methylene phosphonic acid), tetrasodium salt
Basic information
- CAS
94987-77-6- 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.[Na+].[Na+].[Na+].[Na+]- InChIKey
HLIYJADABSFDEC-UHFFFAOYSA-J- Molecular formula
- C9H24N3Na4O15P5
- Average molar mass
- 661.13 g/mol
- Monoisotopic mass
- 660.94862918
Names & identifiers
- Preferred name
- Diethylene triamine penta(methylene phosphonic acid), tetrasodium salt
- IUPAC
- tetrasodium;[2-[2-[bis[[hydroxy(oxido)phosphoryl]methyl]amino]ethyl-[[hydroxy(oxido)phosphoryl]methyl]amino]ethyl-(phosphonomethyl)amino]methyl-hydroxyphosphinate
Names & synonyms
Diethylene triamine penta(methylene phosphonic acid), tetrasodium salt94987-77-6E6DVO371LCTetrasodium diethylenetriaminepentamethylenephosphonateTetrasodium hydrogen (((2-(bis((hydroxyphosphinato)methyl)amino)ethyl)(2-(((hydroxyphosphinato)methyl)(phosphonomethyl)amino)ethyl)amino)methyl)phosphonateDiethylenetriamine pentamethylene phosphonic acid, tetrasodium saltPhosphonic acid, (1,2-ethanediylnitrilobis(methylene))pentakis-, sodium salt (1:4)Phosphonic acid, (((phosphonomethyl)imino)bis(2,1-ethanediylnitrilobis(methylene)))tetrakis-, tetrasodium saltTetrasodium (((phosphonomethyl)imino)bis(2,1-ethanediylnitrilobis(methylene)))tetrakisphosphonateTetrasodium (2-(2-(bis((hydroxy(oxido)phosphoryl)methyl)amino)ethyl-((hydroxy(oxido)phosphoryl)methyl)amino)ethyl-(phosphonomethyl)amino)methyl-hydroxyphosphinateUNII-E6DVO371LCtetrasodium hydrogen {[(2-{bis[(hydroxyphosphinato)methyl]amino}ethyl)(2-{[(hydroxyphosphinato)methyl](phosphonomethyl)amino}ethyl)amino]methyl}phosphonate
Show more names
DTXSID5029841
Properties
Computed structural properties
- Topological polar surface area
- 309 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 16
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 791
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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