2-Borono-5-[[4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1-piperidinyl]methyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester

Name: 2-Borono-5-[[4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1-piperidinyl]methyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester
SKU: ACM913388713
Rating: 5 (1 reviews)

CAS

913388-71-3

Catalog Number

ACM913388713

Category

Other Products

Molecular Formula

C₂₆H₄₃BN₂O₅Si

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Specification

Synonyms

1H-Indole-1-carboxylic acid, 2-borono-5-[[4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1-piperidinyl]methyl]-, 1-(1,1-dimethylethyl) ester

What is the molecular formula of the compound with the PubChem CID 57355745?

The molecular formula is C26H43BN2O5Si.

What is the molecular weight of the compound?

The molecular weight is 502.5 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is [5-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C26H43BN2O5Si/c1-25(2,3)34-24(30)29-22-10-9-20(15-21(22)16-23(29)27(31)32)17-28-13-11-19(12-14-28)18-33-35(7,8)26(4,5)6/h9-10,15-16,19,31-32H,11-14,17-18H2,1-8H3.

What is the InChIKey of the compound?

The InChIKey is JZUKTCDOSMFBBQ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)CN3CCC(CC3)CO[Si](C)(C)C(C)(C)C)(O)O.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 6 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 84.2 Å².

Is the compound canonicalized?

Yes, the compound is canonicalized.