5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-
Basic information
- CAS
40666-30-6- Standard SMILES
O=C(O)CCC/C=C\CC1C(O)CC(O)[C@@H]1/C=C/[C@@H](O)CSc1ccc(Cl)cc1- InChIKey
LIGBAVVJCKIGHX-USKRPNENSA-N- Molecular formula
- C22H29ClO5S
- Average molar mass
- 441 g/mol
- Monoisotopic mass
- 440.1424229
Names & identifiers
- Preferred name
- 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-
- IUPAC
- (Z)-7-[(2R)-2-[(E,3R)-4-(4-chlorophenyl)sulfanyl-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Names & synonyms
40666-30-65-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-
Database identifiers
- CAS
40666-30-6- PubChem CID
- 6434263
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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