Ono-747
Basic information
- CAS
54443-06-0- Standard SMILES
CCCC(CC)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)O- InChIKey
BAPOWBCQHIPWJH-AKBYHFCDSA-N- Molecular formula
- C22H36O5
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.25627424
Names & identifiers
- Preferred name
- Ono-747
- IUPAC
- (E)-7-[(1R,2R,3R)-2-[(E,3S)-5-ethyl-3-hydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-2-enoic acid
Names & synonyms
Ono 747Ono-74754443-06-0RefChem:168282(2E,11 alpha,13E,15S)-17-ethyl-11,15-dihydroxy-9-oxoprosta-2,13-dien-1-oic acid17 xi-Ethyl-trans-delta(2)-PGE(E)-7-[(1R,2R,3R)-2-[(E,3S)-5-ethyl-3-hydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-2-enoic acid(2E,11alpha,13E,15S)-17-Ethyl-11,15-dihydroxy-9-oxoprosta-2,13-dien-1-oic acid
Database identifiers
- CAS
54443-06-0- PubChem CID
- 6443549
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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