Basic information
- Standard SMILES
COC(=O)c1ccc(CCC[C@@H]2[C@@H](/C=C/[C@@H](O)CCC[C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H](OC3CCCCO3)C[C@H]2Cl)s1- InChIKey
JMSYRGOMOGSYDO-VWTNDGODSA-N- Molecular formula
- C33H55ClO6SSi
- Average molar mass
- 643.4 g/mol
Names & identifiers
- Preferred name
- Methyl 5-(3-((1R,2R,3R,5R)-2-((3S,7R,E)-7-(tert-butyldimethylsilyloxy)-3-hydroxyoct-1-enyl)-5-chloro-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl)propyl)thiophene-2-carboxylate
- IUPAC
- methyl 5-[3-[(1R,2R,3R,5R)-2-[(E,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-1-enyl]-5-chloro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate
Names & synonyms
SCHEMBL2114783JMSYRGOMOGSYDO-VWTNDGODSA-NMethyl 5-(3-((1R,2R,3R,5R)-2-((3S,7R,E)-7-(tert-butyldimethylsilyloxy)-3-hydroxyoct-1-enyl)-5-chloro-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl)-propyl)thiophene-2-carboxylateMethyl 5-(3-((1R,2R,3R,5R)-2-((3S,7R,E)-7-(tert-butyldimethylsilyloxy)-3-hydroxyoct-1-enyl)-5-chloro-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl)propyl)thiophene-2-carboxylate
Database identifiers
- PubChem CID
- 57734084
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 851
Related reactions
4 records
Compound notes
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