Agropinic acid
Basic information
- CAS
74474-75-2- Standard SMILES
O=C(O)[C@@H]1CCC(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO- InChIKey
HYQWFBNQOFYRBP-UHFFFAOYSA-N- Molecular formula
- C11H19NO8
- Average molar mass
- 293.27 g/mol
- Monoisotopic mass
- 293.11106656
Overview
mannityl opine analog; RN given refers to (S)-isomer
Names & identifiers
- Preferred name
- Agropinic acid
- IUPAC
- (2S)-5-oxo-1-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pyrrolidine-2-carboxylic acid
- English name
- agropinic acid
- Molecular weight
- 0
Names & synonyms
Agropinic acid74474-75-2RefChem:110229Agrapinic acidG9Z(2S)-5-oxo-1-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pyrrolidine-2-carboxylic acid1-(1-Deoxy-D-mannitol-1-yl)-5-oxo-L-prolineL-Proline, 1-(1-deoxy-D-mannitol-1-yl)-5-oxo-
Database identifiers
- CAS
74474-75-2- PubChem CID
- 173285
- Nikkaji
- J690.469F
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 362
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Related reactions
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Compound notes
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