Basic information
- CAS
5541-93-5- Standard SMILES
C=C(OP(=O)([O-])[O-])C(=O)[O-].[Na+].[Na+].[Na+]- InChIKey
RJUFBDMHZGRGMA-UHFFFAOYSA-K- Molecular formula
- C3H2Na3O6P
- Average molar mass
- 233.99 g/mol
- Monoisotopic mass
- 233.92820762
Names & identifiers
- Preferred name
- Trisodium 2-phosphonatoacrylate
- IUPAC
- trisodium;2-phosphonatooxyprop-2-enoate
- English name
- 2-PHOSPHOENOL PYRUVATE NA3SALT
- Molecular formula
- C3H2Na3O6P
- Molecular weight
- 233.99
Names & synonyms
Trisodium 2-phosphonatoacrylateRefChem:9004782-Propenoic acid, 2-(phosphonooxy)-, sodium salt (1:3)5541-93-52-Propenoic acid, 2-(phosphonooxy)-, trisodium salttrisodium phosphoenolpyruvatetrisodium;2-phosphonatooxyprop-2-enoatetrisodium 2-(phosphonatooxy)prop-2-enoatephosphoenolpyruvate trisodium salt78Y3Q07J1XC3H2Na3O6PPEP.3Na.7H2O
Show more names
PEP NA3SALTPhosphoenol pyruvate-Na3salt2-phosphonatooxyprop-2-enoateTRISODIUM PHOSPHOENOL PYRUVATE2-PHOSPHOENOL PYRUVATE NA3SALTPhosphoenolpyruvicacidtrisodiumsaltPhosphoenolpyruvic acid (trisodium)
2-Phosphoenol Pyruvate Sodium SaltPhosphoenolpyruvate trisodium salt heptahydrateEINECS 226-906-8trisodiumphosphoenolpyruvateSCHEMBL328899UNII-78Y3Q07J1XDTXSID5063948FP52390
Database identifiers
- CAS
5541-93-5
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 33 · 33-37°C
- storage temp.
- 20 °C · −20°C
- solubility
- 2 O: · H2O: 0.1 g/mL, clear to slightly turbid, colorless
- form
- Powder
- Water Solubility
- 100 mg/mL, · water: 100mg/mL, clear to slightly hazy, colorless to very faintly yellow
- CAS DataBase Reference
- 5541 · 5541-93-5
- FDA UNII
- 78 Y3Q07J1X · 78Y3Q07J1X
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 2-(phosphonooxy)-, trisodium salt (5541-93-5)
- UNSPSC Code
- 12352204 · 12352204
- NACRES
- 32 · NA.32
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazard Codes
- F,Xi
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P271, P280, P302+P352, P304+P340, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 9
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29319090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- F,Xi
- safety_code
- 22-24/25-36-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenoic acid, 2-(phosphonooxy)-, sodium salt (1:3): INACTIVE
Applications
UsesWhen coupled with pyruvate kinase it completes an ATP-regenerating system
UsesPhospho(enol)pyruvic acid trisodium salt hydrate has been used in:several enzyme activity assays, such as PRPP synthetase (PRPPS) assay, ribokinase (RK) assay, adenine phosphoribosyltransferase (APRT) assayin the reaction mixture for enzyme kinetic assay to determine platelet-derived growth factor receptor α (PDGFRA) kinetic parametersas a component in buffer B to react with adenosine diphosphate (ADP) to form adenosine triphosphate (ATP) for energy charge measurement
Suppliers6 total
SPECTRUM-USP[email protected]
SIGMA—
MPBIO-FINE—
NACALAI[email protected]
先进技术工业有限公司[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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