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MPPG

CAT: 0607-B6475-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6475-10Size:10 mg
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Description
mGlu receptor antagonist
CAS Number
169209-65-8
Product Name Alternative
(S)-2-amino-2-(4-phosphonophenyl)propanoic acid
Purity
0.98
Solubility
Soluble to 100 mM in 1eq. NaOH
Smiles
OC([C@@](C(C=C1)=CC=C1P(O)(O)=O)(C)N)=O
Molecular Formula
C9H12NO5P
Molecular Weight
245.17
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

Alpha-methyl-4-phosphonophenylglycine

(RS)-alpha-methyl-4-phosphonophenylglycine is an organic molecular entity. It has a role as a metabotropic glutamate receptor antagonist.

CAS Number169209-65-8
PubChem CID3972752
IUPAC Name2-amino-2-(4-phosphonophenyl)propanoic acid
Molecular FormulaC9H12NO5P
Molecular Weight245.17
XLogP-3.5
Topological Polar Surface Area121
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity320
SMILES
CC(C1=CC=C(C=C1)P(=O)(O)O)(C(=O)O)N
InChI
InChI=1S/C9H12NO5P/c1-9(10,8(11)12)6-2-4-7(5-3-6)16(13,14)15/h2-5H,10H2,1H3,(H,11,12)(H2,13,14,15)
InChIKey
PAONCRJPUQXPRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alpha-methyl-4-phosphonophenylglycine
CAS: 169209-65-8
CID: 3972752
Formula: C9H12NO5P
MW: 245.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.17
XLogP3-3.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass245.04530948
Monoisotopic Mass245.04530948
Topological Polar Surface Area121 Ų
Heavy Atom Count16
Formal Charge0
Complexity320
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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