CAS
913388-69-9 Purity
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913388-69-9 Purity
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Specification
The molecular weight is 403.3 g/mol.
The IUPAC name is [5-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid.
The InChI key is VYWPVMOKIAJTNK-UHFFFAOYSA-N.
There are 3 hydrogen bond donor counts.
There are 6 hydrogen bond acceptor counts.
The exact mass is 403.2642367 g/mol.
There are 9 rotatable bond counts.
The topological polar surface area is 87.2.
There are 29 heavy atom counts.
Yes, the compound is canonicalized.