CAS 204119-59-5 | Pentanoic acid, 2-hydroxy-3-methyl-, (2S)- | CAS Number 204119-59-5

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204119-59-5 | Pentanoic acid, 2-hydroxy-3-methyl-, (2S)-

CAS No: 204119-59-5 Catalog No: AG0029AH MDL No:

Product Description

Catalog Number:

AG0029AH

Chemical Name:

Pentanoic acid, 2-hydroxy-3-methyl-, (2S)-

CAS Number:

204119-59-5

Molecular Formula:

C6H12O3

Molecular Weight:

132.1577

IUPAC Name:

2-hydroxy-3-methylpentanoic acid

InChI:

InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)

InChI Key:

RILPIWOPNGRASR-UHFFFAOYSA-N

SMILES:

CCC([C@@H](C(=O)O)O)C

EC Number:

207-671-0

Properties

Complexity:

101

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

132.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

132.159g/mol

Monoisotopic Mass:

132.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
The Arabidopsis glucosyltransferase UGT76B1 conjugates isoleucic acid and modulates plant defense and senescence.	The Plant cell 20111101
Cloning and molecular characterization of the gene encoding the Aureobasidin A biosynthesis complex in Aureobasidium pullulans BP-1938.	Gene 20090215
Absolute configuration of the creatonotines and callimorphines, two classes of arctiid-specific pyrrolizidine alkaloids.	Insect biochemistry and molecular biology 20070101
The Bogorol family of antibiotics: template-based structure elucidation and a new approach to positioning enantiomeric pairs of amino acids.	The Journal of organic chemistry 20060804
Intrahippocampal administration of the branched-chain alpha-hydroxy acids accumulating in maple syrup urine disease compromises rat performance in aversive and non-aversive behavioral tasks.	Journal of the neurological sciences 20050515
Hofmannolin, a cyanopeptolin from Scytonema hofmanni PCC 7110.	Phytochemistry 20031101
Lacticin 3147 favours isoleucine transamination by Lactococcus lactis IFPL359 in a cheese-model system.	Biotechnology letters 20030401