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2,2-Dimethylsuccinic acid

CAT: 0013-GTR19202843-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202843-01Size:200 mg
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Description
2,2-Dimethylsuccinic acid (2,2-DMSA) is a biomarker of gut microbial metabolism. It is utilized in research on host-microbiome interactions, metabolic disorders, and as a reference standard in both in vivo and in vitro studies to investigate dysbiosis and related disease pathways.
CAS Number
597-43-3
Product Name Alternative
2,2Dimethylsuccinic acid, 2,2-Dimethylsuccinic acid, 2,2 Dimethylsuccinic acid
Purity
98.40% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (22.58 mM) ; DMSO:80 mg/mL (547.42 mM)
Smiles
O=C (O) CC (C (=O) O) (C) C
Molecular Formula
C6H10O4
Molecular Weight
146.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,2-Dimethylsuccinic acid

2,2-dimethylsuccinic acid is an alpha,-dicarboxylic acid that is succinic acid substituted by two methyl groups at positions 2 and 2 respectively. It is functionally related to a succinic acid. It is a conjugate acid of a 2,2-dimethylsuccinate(2-).

CAS Number597-43-3
PubChem CID11701
IUPAC Name2,2-dimethylbutanedioic acid
Molecular FormulaC6H10O4
Molecular Weight146.14
XLogP0.2
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity159
SMILES
CC(C)(CC(=O)O)C(=O)O
InChI
InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
InChIKey
GOHPTLYPQCTZSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Dimethylsuccinic acid
CAS: 597-43-3
CID: 11701
Formula: C6H10O4
MW: 146.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.14
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass146.05790880
Monoisotopic Mass146.05790880
Topological Polar Surface Area74.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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