Trisodium [nitrilotris(methylene)]tris[hydrogen (phosphonate)]
Basic information
- CAS
7611-50-9- Standard SMILES
O=P([O-])(O)CN(CP(=O)([O-])O)CP(=O)([O-])O.[Na+].[Na+].[Na+]- InChIKey
SOBHUZYZLFQYFK-UHFFFAOYSA-K- Molecular formula
- C3H9NNa3O9P3
- Average molar mass
- 365 g/mol
- Monoisotopic mass
- 364.9183247
Overview
See also: Trisodium aminotris(methylenephosphonate) (preferred).
Names & identifiers
- Preferred name
- Trisodium [nitrilotris(methylene)]tris[hydrogen (phosphonate)]
- IUPAC
- trisodium;[bis[[hydroxy(oxido)phosphoryl]methyl]amino]methyl-hydroxyphosphinate
- English name
- Nitrilotris(methylenephosphonic acid), trisodium salt
- Molecular formula
- C3H13NNaO9P3
- Molecular weight
- 323.05
Names & synonyms
orb2565641T87043trisodium [nitrilotris(methylene)]tris[hydrogen (phosphonate)]NTPONTPO trisodiumNitrilotris(methylphosphpnicacid),trispdiumNitrilotris(methylenephosphonic acid), trisodium salttrisodium trihydrogen [nitrilotris(methylene)]trisphosphonate
Database identifiers
- CAS
7611-50-9- PubChem CID
- 9799202
- DTXSID
DTXSID6029676- UNII
- GBZ46EI9DI
Properties
Computed structural properties
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- FDA UNII
- 46 EI9DI · GBZ46EI9DI
- EPA Substance Registry System
- Phosphonic acid, [nitrilotris(methylene)]tris-, trisodium salt (7611-50-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesNTPO trisodium is a DNA damage inducer, causing genomic DNA damage and fragmentation, activating ATR-mediated cell cycle checkpoints. The DNA damaging effects of NTPO trisodium are abrogated by base excision repair (BER) but not nucleotide excision repair (NER)[1].
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Related reactions
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Compound notes
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