Basic information
- CAS
5465-55-4- Standard SMILES
Cc1ccc(-c2c(Br)c(OC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(-c3ccc(C)cc3C)c(Br)c2OC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(C)c1- InChIKey
SIYIQIXVJVQMDI-KRTHOURKSA-N- Molecular formula
- C46H60Br2O6
- Average molar mass
- 868.8 g/mol
- Monoisotopic mass
- 866.27566
Names & identifiers
- Preferred name
- [2,5-dibromo-3,6-bis(2,4-dimethylphenyl)-4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxyphenyl] 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
- IUPAC
- [2,5-dibromo-3,6-bis(2,4-dimethylphenyl)-4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxyphenyl] 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
Names & synonyms
NSC290235465-55-4NSC-29023
Database identifiers
- CAS
5465-55-4- PubChem CID
- 232020
Properties
Computed structural properties
- XLogP
- 14.2
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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