Basic information
- CAS
99765-57-8- Standard SMILES
C[C@H](CO)C12CC[C@@](C)(O1)[C@H](OCc1ccccc1C(=O)O)C2- InChIKey
YOGGXQIGRTZOQH-GGAUFYCMSA-N- Molecular formula
- C18H24O5
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.16237386
Names & identifiers
- Preferred name
- 2-(((4R,5R)-1-((2R)-1-hydroxypropan-2-yl)-4-methyl-7-oxabicyclo(2.2.1)heptan-5-yl)oxymethyl)benzoic acid
- IUPAC
- 2-[[(1R,2R)-4-[(2R)-1-hydroxypropan-2-yl]-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzoic acid
Names & synonyms
99765-57-82-(((4R,5R)-1-((2R)-1-hydroxypropan-2-yl)-4-methyl-7-oxabicyclo(2.2.1)heptan-5-yl)oxymethyl)benzoic acid
Database identifiers
- CAS
99765-57-8- PubChem CID
- 188641
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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