Basic information
- Standard SMILES
CO[C@@H](Cc1ccc(C#CCCCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2)cc1)C(=O)O- InChIKey
YIDJQFDFRNEYGF-LJAQVGFWSA-N- Molecular formula
- C30H26O6
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 482.17293854
Names & identifiers
- Preferred name
- (2S)-2-Methoxy-3-{4-[5-(4-oxo-2-phenyl-4H-chromen-7-yloxy)-pent-1-ynyl]-phenyl}-propionic acid
- IUPAC
- (2S)-2-methoxy-3-[4-[5-(4-oxo-2-phenylchromen-7-yl)oxypent-1-ynyl]phenyl]propanoic acid
Names & synonyms
SCHEMBL5386418YIDJQFDFRNEYGF-LJAQVGFWSA-N(2S)-2-Methoxy-3-{4-[5-(4-oxo-2-phenyl-4H-chromen-7-yloxy)-pent-1-ynyl]-phenyl}-propionic acid
Database identifiers
- PubChem CID
- 69424192
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 836
Related reactions
1 records
Compound notes
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