CAS 13095-48-2 | Pentanedioic acid, 2-hydroxy-, (2S)- | CAS Number 13095-48-2

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13095-48-2 | Pentanedioic acid, 2-hydroxy-, (2S)-

CAS No: 13095-48-2 Catalog No: AG000V5U MDL No:

Product Description

Catalog Number:

AG000V5U

Chemical Name:

Pentanedioic acid, 2-hydroxy-, (2S)-

CAS Number:

13095-48-2

Molecular Formula:

C5H8O5

Molecular Weight:

148.1140

IUPAC Name:

(2S)-2-hydroxypentanedioic acid

InChI:

InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1

InChI Key:

HWXBTNAVRSUOJR-VKHMYHEASA-N

SMILES:

OC(=O)CC[C@@H](C(=O)O)O

Properties

Complexity:

141

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

148.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

148.114g/mol

Monoisotopic Mass:

148.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1

Literature

Title	Journal
2-hydroxyglutarate production, but not dominant negative function, is conferred by glioma-derived NADP-dependent isocitrate dehydrogenase mutations.	PloS one 20110101
Stereoselective inhibition of glutamate carboxypeptidase by chiral phosphonothioic acids.	Bioorganic & medicinal chemistry 20010201