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Succinyl phosphonate trisodium salt

CAT: 0013-GTR19154874-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154874-01Size:200 mg
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Description
Succinyl phosphonate trisodium salt is an inhibitor of α-ketoglutarate dehydrogenase (KGDHC) .
CAS Number
864167-45-3
Purity
>98% (HPLC)
Solubility
H2O:125 mg/mL (504.01 mM; Need ultrasonic)
Smiles
O=C (O[Na]) CCC (P (O[Na]) (O[Na]) =O) =O
Molecular Formula
C4H4Na3O6P
Molecular Weight
248.01
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Succinyl phosphonate trisodium salt
CAS Number864167-45-3
PubChem CID138911342
IUPAC Nametrisodium;4-oxo-4-phosphonatobutanoate
Molecular FormulaC4H4Na3O6P
Molecular Weight248.01
Topological Polar Surface Area120
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity225
SMILES
C(CC(=O)P(=O)([O-])[O-])C(=O)[O-].[Na+].[Na+].[Na+]
InChI
InChI=1S/C4H7O6P.3Na/c5-3(6)1-2-4(7)11(8,9)10;;;/h1-2H2,(H,5,6)(H2,8,9,10);;;/q;3*+1/p-3
InChIKey
QHBOYEUINLIJDF-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of Succinyl phosphonate trisodium salt
CAS: 864167-45-3
CID: 138911342
Formula: C4H4Na3O6P
MW: 248.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.01
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass247.94385769
Monoisotopic Mass247.94385769
Topological Polar Surface Area120 Ų
Heavy Atom Count14
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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