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Basic information
- CAS
60573-88-8- Standard SMILES
NC(C(=O)O)c1cc(=O)[nH]o1.O- InChIKey
QVKQQLYSTODTJN-UHFFFAOYSA-N- Molecular formula
- C5H8N2O5
- Average molar mass
- 176.13 g/mol
- Monoisotopic mass
- 176.04332136
Names & identifiers
- Preferred name
- Ibotenic acid hydrate
- IUPAC
- 2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid;hydrate
Names & synonyms
60573-88-8Ibotenic acid hydrateIbotenic acid monohydrate5-ISOXAZOLEACETIC ACID, alpha-AMINO-3-HYDROXY-, MONOHYDRATEPramuscimolIbotensaeureIsotenic acidIbotensaeure [German]Amino-(3-hydroxy-5-isoxazolyl)acetic acidalpha-Amino-3-hydroxy-5-isoxazolessigsaure hydratalpha-Amino-3-hydroxy-5-isoxazoleacetic acid hydrateorb1740463
Show more names
SCHEMBL8108075alpha-Amino-3-hydroxy-5-isoxazolessigsaure hydrat [German]DTXSID60976010DB-053660T69017Ibotenic acid monohydrate from Amanita sp., 97%2-amino-2-(3-oxoisoxazol-5-yl)acetic acid;hydrate2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid;hydrate
Database identifiers
- CAS
60573-88-8- PubChem CID
- 43362
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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