6-(3-hydroxy-3-methylbutyl)-6-isopropyl-3-((S)-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)-1,3-oxazinan-2-one

HCID 59635708

Basic information

Standard SMILES
CC(C)C1(CCC(C)(C)O)CCN([C@@H](C)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(=O)O1
InChIKey
NVIWSAVZUANMEO-SXMXNQBWSA-N
Molecular formula
C26H42BNO5
Average molar mass
459.4 g/mol

Names & identifiers

Preferred name
6-(3-hydroxy-3-methylbutyl)-6-isopropyl-3-((S)-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)-1,3-oxazinan-2-one
IUPAC
6-(3-hydroxy-3-methylbutyl)-6-propan-2-yl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one

Names & synonyms

SCHEMBL590014NVIWSAVZUANMEO-SXMXNQBWSA-N6-(3-hydroxy-3-methylbutyl)-6-isopropyl-3-((S)-1-(4-(4,4,5,5-tetramethyl -1,3,2-dioxaborolan-2-yl)phenyl)ethyl)-1,3-oxazinan-2-one6-(3-hydroxy-3-methylbutyl)-6-isopropyl-3-((S)-1-(4-(4,4,5,5-tetramethyl-1,3,2-d ioxaborolan-2-yl)phenyl)ethyl)-1,3-oxazinan-2-one6-(3-hydroxy-3-methylbutyl)-6-isopropyl-3-((S)-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)-1,3-oxazinan-2-one

Database identifiers

PubChem CID
59635708

Properties

Computed structural properties

Topological polar surface area
68.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
33

Related reactions

7 records

Compound notes

Loading…