(1S,2R)-4-[2-(tert-butyldimethylsilanyloxy)-1-methyl-4-pyridin-3-ylbutoxy]benzeneboronic acid
Basic information
- Standard SMILES
C[C@H](Oc1ccc(B(O)O)cc1)[C@@H](CCc1cccnc1)O[Si](C)(C)C(C)(C)C- InChIKey
KYTDZRQMZRBZCM-LAUBAEHRSA-N- Molecular formula
- C22H34BNO4Si
- Average molar mass
- 415.4 g/mol
Names & identifiers
- Preferred name
- (1S,2R)-4-[2-(tert-butyldimethylsilanyloxy)-1-methyl-4-pyridin-3-ylbutoxy]benzeneboronic acid
- IUPAC
- [4-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-pyridin-3-ylpentan-2-yl]oxyphenyl]boronic acid
Names & synonyms
SCHEMBL7822922KYTDZRQMZRBZCM-LAUBAEHRSA-N(1S,2R)-4-[2-(tert-butyldimethylsilanyloxy)-1-methyl-4-pyridin-3-yl-butoxy]benzeneboronic acid(1S,2R)-4-[2-(tert-butyldimethylsilanyloxy)-1-methyl-4-pyridin-3-ylbutoxy]benzeneboronic acid
Database identifiers
- PubChem CID
- 54020751
Properties
Computed structural properties
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 478
Related reactions
15 records
Compound notes
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