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(+)-Quisqualic Acid

CAT: 0572-TRC-Q825000-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-Q825000-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52809-07-1
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
N[C@@H](CN1OC(=O)NC1=O)C(=O)O
Molecular Formula
C5 H7 N3 O5
Molecular Weight
189.13
InChI
InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
Additionnal Information
IUPAC name: (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Quisqualic Acid

Quisqualic acid is a non-proteinogenic alpha-amino acid.

CAS Number52809-07-1
PubChem CID40539
IUPAC Name(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid
Molecular FormulaC5H7N3O5
Molecular Weight189.13
XLogP-3.9
Topological Polar Surface Area122
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity265
SMILES
C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1
InChI
InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
InChIKey
ASNFTDCKZKHJSW-REOHCLBHSA-N
Chemical Structure
2D Structure
2D structure of Quisqualic Acid
CAS: 52809-07-1
CID: 40539
Formula: C5H7N3O5
MW: 189.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.13
XLogP3-3.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass189.03857033
Monoisotopic Mass189.03857033
Topological Polar Surface Area122 Ų
Heavy Atom Count13
Formal Charge0
Complexity265
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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