5,6beta-Dibromo-3beta-chloro-5alpha-chloestane
Basic information
- CAS
5337-45-1- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
FTMKSVKJLVFTLW-RUXQDQFYSA-N- Molecular formula
- C27H45Br2Cl
- Average molar mass
- 564.9 g/mol
- Monoisotopic mass
- 562.15765
Names & identifiers
- Preferred name
- 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane
- IUPAC
- (3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dibromo-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
Names & synonyms
NSC7905337-45-1NSC-7905,6.BETA.-DIBROMO-3.BETA.-CHLORO-5.ALPHA.-CHLOESTANE
Database identifiers
- CAS
5337-45-1- PubChem CID
- 219445
- Nikkaji
- J2.250.920I
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 622
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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