(+)-Integerrinecic acid
Basic information
- CAS
469-45-4- Standard SMILES
C/C=C(\C[C@@H](C)[C@@](C)(O)C(=O)O)C(=O)O- InChIKey
CEYWPVCZMDVGLZ-MHTBZZDWSA-N- Molecular formula
- C10H16O5
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.09977361
Names & identifiers
- Preferred name
- (+)-Integerrinecic acid
- IUPAC
- (2R,3R,5E)-5-ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid
- English name
- (2R,3R,E)-5-Ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid
- Molecular weight
- 0
Names & synonyms
(+)-Integerrinecic acid469-45-4(R-(R*,R*-(E)))-5-ethylidene-2-hydroxy-2,3-dimethylhexanedioic acidHexanedioic acid, 5-ethylidene-2-hydroxy-2,3-dimethyl-, (R-(R*,R*-(E)))-Integerrinecic acid(2R,3R,E)-5-Ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid
Database identifiers
- CAS
469-45-4- PubChem CID
- 6445010
- Nikkaji
- J12.026J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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