CAS 15925-30-1 | Pentanoic acid, 5-hydroxy-4-oxo- | CAS Number 15925-30-1

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15925-30-1 | Pentanoic acid, 5-hydroxy-4-oxo-

CAS No: 15925-30-1 Catalog No: AG001QKP MDL No:

Product Description

Catalog Number:

AG001QKP

Chemical Name:

Pentanoic acid, 5-hydroxy-4-oxo-

CAS Number:

15925-30-1

Molecular Formula:

C5H8O4

Molecular Weight:

132.1146

IUPAC Name:

5-hydroxy-4-oxopentanoic acid

InChI:

InChI=1S/C5H8O4/c6-3-4(7)1-2-5(8)9/h6H,1-3H2,(H,8,9)

InChI Key:

HVCNSAJVIFXBHU-UHFFFAOYSA-N

SMILES:

OCC(=O)CCC(=O)O

Properties

Complexity:

118

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

132.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

132.115g/mol

Monoisotopic Mass:

132.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.3

Literature

Title	Journal
Activity-based metabolomic profiling of enzymatic function: identification of Rv1248c as a mycobacterial 2-hydroxy-3-oxoadipate synthase.	Chemistry & biology 20100423
Structure of yeast 5-aminolaevulinic acid dehydratase complexed with the inhibitor 5-hydroxylaevulinic acid.	Acta crystallographica. Section D, Biological crystallography 20050901