P,P',P'',P'''-((2-Hydroxy-1,3-propanediyl)bis(nitrilobis(methylene)))tetrakis(phosphonic acid)
Basic information
- CAS
54622-43-4- Standard SMILES
O=P(O)(O)CN(CC(O)CN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O- InChIKey
GWGQWFHTAOMUBD-UHFFFAOYSA-N- Molecular formula
- C7H22N2O13P4
- Average molar mass
- 466.15 g/mol
- Monoisotopic mass
- 466.00723675
Names & identifiers
- Preferred name
- P,P',P'',P'''-((2-Hydroxy-1,3-propanediyl)bis(nitrilobis(methylene)))tetrakis(phosphonic acid)
- IUPAC
- [[3-[bis(phosphonomethyl)amino]-2-hydroxypropyl]-(phosphonomethyl)amino]methylphosphonic acid
- English name
- 2-hydroxy-1,3-propylenediamine-N,N,N',N'-tetra(methylenephosphonic acid)
- Molecular formula
- C7H22N2O13P4
- Molecular weight
- 466.15
Names & synonyms
DPF 154622-43-4DTXSID20203056RefChem:1094116DTXCID20125547P,P',P'',P'''-((2-Hydroxy-1,3-propanediyl)bis(nitrilobis(methylene)))tetrakis(phosphonic acid)Phosphonic acid, ((2-hydroxytrimethylene)bis(nitrilodimethylene))tetra-DPF-12-HPDTMP[[3-[bis(phosphonomethyl)amino]-2-hydroxypropyl]-(phosphonomethyl)amino]methylphosphonic acid2-Oxy-1,3-propylenediamine-N,N,N',N'-tetramethylenephosphonic acid((2-Hydroxy-1,3-propanediyl)bis(nitrilobis(methylene)))tetrakisphosphonic acid
Show more names
[(2-hydroxypropane-1,3-diillinitrilo]tetramethylene tetraphosphonoic acidPhosphonic acid, P,P',P'',P'''-[(2-hydroxy-1,3-propanediyl)bis[nitrilobis(methylene)]]tetrakis-
2-Hydroxy-1,3-propylenediamine-N,N,N',N'-tetra(methylenephosphonic acid)2-Hydroxy-1,3-propylenediamine-N,N,N'(sup 1),N'(sup 1)-tetramethylenephosphoric acidSCHEMBL18784077Phosphonic acid, ((2-hydroxy-1,3-propanediyl)bis(nitrilobis(methylene)))tetrakis-, (11beta,16alpha)-{(2-Hydroxypropane-1,3-diyl)bis[nitrilobis(methylene)]}tetrakis(phosphonic acid)
Properties
Computed structural properties
- XLogP
- -11.8
- Topological polar surface area
- 257 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 530
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Compound notes
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