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(±) -HIP-A

CAT: 0931-T22479-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T22479-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
227619-64-9
Target
Others, transporter
Related Pathways
Metabolism, Others
Bioactivity
(±) -HIP-A is an excitatory amino acid transporter blocker.
Smiles
C(O)(=O)[C@@H]1[C@@]2([C@](CN1)(ONC2=O)[H])[H]
Molecular Formula
C6H8N2O4
Molecular Weight
172.14
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo(3,4-d)isoxazole-4-carboxylic acid

structure in first source

CAS Number227619-64-9
PubChem CID55254720
IUPAC Name3-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-4-carboxylic acid
Molecular FormulaC6H8N2O4
Molecular Weight172.14
XLogP-3.9
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity242
SMILES
C1C2C(C(N1)C(=O)O)C(=O)NO2
InChI
InChI=1S/C6H8N2O4/c9-5-3-2(12-8-5)1-7-4(3)6(10)11/h2-4,7H,1H2,(H,8,9)(H,10,11)
InChIKey
XJSXFNHFIBCTDU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo(3,4-d)isoxazole-4-carboxylic acid
CAS: 227619-64-9
CID: 55254720
Formula: C6H8N2O4
MW: 172.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.14
XLogP3-3.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass172.04840674
Monoisotopic Mass172.04840674
Topological Polar Surface Area87.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity242
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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