Basic information
- Standard SMILES
CCCCCC(C)(O)CC[C@H]1CC2OCCOC2[C@@H]1CCCCCCC(=O)O- InChIKey
BRIPKGBQCUGYAM-RBIFIMHFSA-N- Molecular formula
- C23H42O5
- Average molar mass
- 398.6 g/mol
- Monoisotopic mass
- 398.30322444
Names & identifiers
- Preferred name
- 9-Ethylenedioxy-15-hydroxy-15-methyl-prostanoic acid
- IUPAC
- 7-[(5R,6S)-6-(3-hydroxy-3-methyloctyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-5-yl]heptanoic acid
Names & synonyms
SCHEMBL11754871BRIPKGBQCUGYAM-RBIFIMHFSA-N9-ethylenedioxy-15-hydroxy-15-methyl-prostanoic acid9-ethylenedioxy-15-hydroxy-15 -methyl-prostanoic acid
Database identifiers
- PubChem CID
- 68123769
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 454
Related reactions
2 records
Compound notes
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