3-Hydroxy-3-methylglutaric Acid

CAT: 0024-sc-206649Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-206649Size:500 mg

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CAS Number

503-49-1

Chemical Information

3-Hydroxy-3-methylglutaric acid

3-hydroxy-3-methylglutaric acid is a dicarboxylic acid that is glutaric acid in which one of the two hydrogens at position 3 is substituted by a hydroxy group, while the other is substituted by a methyl group. It has been found to accumulate in urine of patients suffering from HMG-CoA lyase (3-hydroxy-3-methylglutaryl-CoA lyase, EC 4.1.3.4) deficiency. It occurs as a plant metabolite in Crotalaria dura. It has a role as an antimetabolite, an EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor, an anticholesteremic drug, a plant metabolite and a human metabolite. It is a tertiary alcohol, a dicarboxylic acid and a 3-hydroxy carboxylic acid. It is functionally related to a glutaric acid. It is a conjugate acid of a 3-hydroxy-3-methylglutarate(1-).

CAS Number	503-49-1
PubChem CID	1662
IUPAC Name	3-hydroxy-3-methylpentanedioic acid
Molecular Formula	C6H10O5
Molecular Weight	162.14
XLogP	-1.2
Topological Polar Surface Area	94.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	158

SMILES

CC(CC(=O)O)(CC(=O)O)O

InChI

InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)

InChIKey

NPOAOTPXWNWTSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 503-49-1

CID: 1662

Formula: C6H10O5

MW: 162.14

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	162.14
XLogP3	-1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	162.05282342
Monoisotopic Mass	162.05282342
Topological Polar Surface Area	94.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
sc-206648	3-Hydroxy-3-methylglutaric Anhydride
sc-256534	3-Methylglutaric acid
sc-231683	3-Ethyl-3-methylglutaric acid
sc-225489	2-Methylglutaric acid
sc-266757	3-Methylglutaric anhydride
sc-296306	(S) - (+) -2-Methylglutaric Acid
sc-296190	(R) - (-) -2-Methylglutaric Acid
sc-488412	3-Hydroxy-3-phenylpropionic Acid
sc-486865	3-Hydroxy-3-methylvaleric Acid
sc-209599	3-Hydroxy Valproic Acid

Alternative Products

Catalog	Name
90034038	3-Hydroxy-3-methylglutaric acid
HY-N15754	3-Hydroxy-2-methylglutaric acid
FM57992	3-Methylglutaric acid
OR936775-01	3-Ethyl-3-methylglutaric acid
A19108-1000	3-Methylglutaric acid 1g
TRC-H948265-250MG	3-Hydroxy-3-methylglutaric Anhydride

3-Hydroxy-3-methylglutaric Acid

Chemical Information

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