4-Bromobutylboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester

• CAS: 165881-36-7
• Catalog Number: ACM165881367
• Category: Boro-Amino Acids
• Molecular Formula: C₁₄H₂₄BBrO₂
• Synonyms: 4-Bromobutylboronate ester;4-Bromobutylboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester

Custom Q&A

What is the molecular formula of 4-Bromobutylboronic acid ((1S,2S,3R,5S)-(+)-2,3-pinanediol ester)?

The molecular formula is C14H24BBrO2.

When was the compound created and modified according to PubChem?

It was created on March 15, 2010, and last modified on December 2, 2023.

What is the IUPAC name of the compound?

The IUPAC name is (1S,2S,6R,8S)-4-(4-bromobutyl)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0 2,6 ]decane.

What is the InChI of the compound?

The InChI is InChI=1S/C14H24BBrO2/c1-13(2)10-8-11(13)14(3)12(9-10)17-15(18-14)6-4-5-7-16/h10-12H,4-9H2,1-3H3/t10-,11-,12+,14-/m0/s1.

What is the InChIKey of the compound?

The InChIKey is DQGAIMVYOVPBSD-FMSGJZPZSA-N.

How many hydrogen bond donor counts does the compound have?

It has 0 hydrogen bond donor count.

What is the exact mass of the compound?

The exact mass is 314.10527 g/mol.

How many defined atom stereocenter counts does the compound have?

It has 4 defined atom stereocenter counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 18.5Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized according to PubChem.