Basic information
- Standard SMILES
CCCS(=O)(=O)c1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCBr- InChIKey
ZTFGZFZPKWIRGW-RTBURBONSA-N- Molecular formula
- C25H33BrO8S
- Average molar mass
- 573.5 g/mol
- Monoisotopic mass
- 572.10795
Names & identifiers
- Preferred name
- trans-2-[3-n-Propylsulfonyl-4-(2-bromoethoxy)-5-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran
- IUPAC
- (2R,5R)-2-[4-(2-bromoethoxy)-3-methoxy-5-propylsulfonylphenyl]-5-(3,4,5-trimethoxyphenyl)oxolane
Names & synonyms
SCHEMBL9691737ZTFGZFZPKWIRGW-RTBURBONSA-Ntrans-2-[3 -n-Propylsulfonyl-4-(2-bromoethoxy)-5-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrahydrofurantrans-2-[3-n-Propylsulfonyl-4-(2-bromoethoxy)-5-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran
Database identifiers
- PubChem CID
- 67907009
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 717
Related reactions
3 records
Compound notes
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