(1S,2R)-4-[2-(tert-butyldimethylsilanyloxy)-1-methyl-4-pyridin-3-ylbutoxy]benzeneboronic acid

HCID 54020751

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

Related reactions

15 records

Linked notes

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