5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-4-(methylphenylamino)-1-butenyl)cyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-
Basic information
- CAS
40666-24-8- Standard SMILES
CN(C[C@H](O)/C=C/[C@H]1C(O)CC(O)C1C/C=C\CCCC(=O)O)c1ccccc1- InChIKey
SRPWOMDCZJOMIT-SBYCMCGXSA-N- Molecular formula
- C23H33NO5
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.23587315
Names & identifiers
- Preferred name
- 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-4-(methylphenylamino)-1-butenyl)cyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-
- IUPAC
- (Z)-7-[(2R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-(N-methylanilino)but-1-enyl]cyclopentyl]hept-5-enoic acid
Names & synonyms
40666-24-85-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-4-(methylphenylamino)-1-butenyl)cyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-
Database identifiers
- CAS
40666-24-8- PubChem CID
- 6434262
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…