Methyl 5-(3-((1R,2R,3R,5R)-5-chloro-2-((3S,7R,E)-3,7-dihydroxyoct-1-enyl)-3-hydroxycyclopentyl)propyl)thiophene-2-carboxylate
Basic information
- Standard SMILES
COC(=O)c1ccc(CCC[C@@H]2[C@@H](/C=C/[C@@H](O)CCC[C@@H](C)O)[C@H](O)C[C@H]2Cl)s1- InChIKey
IBBYOXWYNOMKHJ-PNWHWVHWSA-N- Molecular formula
- C22H33ClO5S
- Average molar mass
- 445 g/mol
Names & identifiers
- Preferred name
- Methyl 5-(3-((1R,2R,3R,5R)-5-chloro-2-((3S,7R,E)-3,7-dihydroxyoct-1-enyl)-3-hydroxycyclopentyl)propyl)thiophene-2-carboxylate
- IUPAC
- methyl 5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate
Names & synonyms
SCHEMBL2113129IBBYOXWYNOMKHJ-PNWHWVHWSA-NMethyl 5-(3-((1R,2R,3R,5R)-5-chloro-2-((3S,7R,E)-3,7-dihydroxyoct-1-enyl)-3-hydroxycyclopentyl)propyl)thiophene-2-carboxylate
Database identifiers
- PubChem CID
- 57734135
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 531
Related reactions
6 records
Compound notes
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