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PMPA tetrasodium salt

CAT: 0957-S0189-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S0189-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
373645-42-2
Synonyms
PMPA sodium
Target
Others
Applications
Others
Smiles
C (CC (=O) O) C (CP (=O) (O) O) C (=O) O
Molecular Formula
C6H7Na4O7P
Additionnal Information
PMPA tetrasodium salt (PMPA sodium) is a potent and selective inhibitor of glutamate carboxypeptidase 2 (GCP II/NAALADase) .
Storage Conditions
3 years -20°C powder

Chemical Information

PMPA sodium salt
CAS Number373645-42-2
PubChem CID72522207
IUPAC Nametetrasodium;2-(phosphonatomethyl)pentanedioate
Molecular FormulaC6H7Na4O7P
Molecular Weight314.05
Topological Polar Surface Area143
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity245
SMILES
C(CC(=O)[O-])C(CP(=O)([O-])[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C6H11O7P.4Na/c7-5(8)2-1-4(6(9)10)3-14(11,12)13;;;;/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13);;;;/q;4*+1/p-4
InChIKey
LEBZXEZQTCDFBJ-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of PMPA sodium salt
CAS: 373645-42-2
CID: 72522207
Formula: C6H7Na4O7P
MW: 314.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.05
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass313.95201668
Monoisotopic Mass313.95201668
Topological Polar Surface Area143 Ų
Heavy Atom Count18
Formal Charge0
Complexity245
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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