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MSPG

CAT: 0607-B6476-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6476-10Size:10 mg
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Description
mGlu receptor antagonist
CAS Number
169209-64-7
Product Name Alternative
(S)-2-amino-2-(4-sulfophenyl)propanoic acid
Field of Research
Neuroscience GluR
Purity
0.98
Form
White solid
Solubility
Soluble to 100 mM in 1eq. NaOH
Smiles
OC([C@@](C(C=C1)=CC=C1S(O)(=O)=O)(C)N)=O
Molecular Formula
C9H11NO5S
Molecular Weight
245.25
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

2-Amino-2-(4-sulfophenyl)propanoic acid
CAS Number169209-64-7
PubChem CID3964410
IUPAC Name2-amino-2-(4-sulfophenyl)propanoic acid
Molecular FormulaC9H11NO5S
Molecular Weight245.25
XLogP-2.8
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity366
SMILES
CC(C1=CC=C(C=C1)S(=O)(=O)O)(C(=O)O)N
InChI
InChI=1S/C9H11NO5S/c1-9(10,8(11)12)6-2-4-7(5-3-6)16(13,14)15/h2-5H,10H2,1H3,(H,11,12)(H,13,14,15)
InChIKey
MVDSFPIEJILRME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-2-(4-sulfophenyl)propanoic acid
CAS: 169209-64-7
CID: 3964410
Formula: C9H11NO5S
MW: 245.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.25
XLogP3-2.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass245.03579362
Monoisotopic Mass245.03579362
Topological Polar Surface Area126 Ų
Heavy Atom Count16
Formal Charge0
Complexity366
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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