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Structure

n-Butane-2-boronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester

CAS
98541-36-7
Catalog Number
ACM98541367
Category
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Specification

Synonyms
n-Butane-2-boronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester
What is the molecular formula of n-Butane-2-boronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester?

The molecular formula is C14H25BO2.

What are the synonyms for n-Butane-2-boronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester?

The synonyms are N-BUTANE-2-BORONIC ACID (1S,2S,3R,5S)-(+)-2,3-PINANEDIOL ESTER and 98541-36-7.

What is the molecular weight of n-Butane-2-boronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester?

The molecular weight is 236.16 g/mol.

When was n-Butane-2-boronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester created in PubChem?

It was created on May 30, 2012.

When is the last modified date for n-Butane-2-boronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester in PubChem?

The last modified date is December 30, 2023.

What is the IUPAC name of n-Butane-2-boronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester?

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

What is the InChI of n-Butane-2-boronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester?

The InChI is InChI=1S/C14H25BO2/c1-6-9(2)15-16-12-8-10-7-11(13(10,3)4)14(12,5)17-15/h9-12H,6-8H2,1-5H3/t9?,10-,11-,12+,14-/m0/s1.

What is the InChIKey of n-Butane-2-boronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester?

The InChIKey is WHMUSDTWJRKCSL-ZEDOAISVSA-N.

What is the canonical SMILES of n-Butane-2-boronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester?

The canonical SMILES is B1(OC2CC3CC(C3(C)C)C2(O1)C)C(C)CC.

What is the isomeric SMILES of n-Butane-2-boronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester?

The isomeric SMILES is B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)C(C)CC.

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