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2-Methylsuccinic acid

CAT: 0931-T5231-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T5231-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
498-21-5
Target
Endogenous Metabolite
Related Pathways
Metabolism
Purity
0.9931
Bioactivity
2-Methylsuccinic acid (Pyrotartaric Acid) is a normal metabolite found in human fluids. Increased urinary levels of 2-Methylsuccinic acid (Pyrotartaric Acid) (together with ethylmalonic acid) are the main biochemical measurable features in ethylmalonic encephalopathy, a rare metabolic disorder with an autosomal recessive mode of inheritance that is clinically characterized by neuromotor delay, hyperlactic acidemia, recurrent petechiae, orthostatic acrocyanosis, and chronic diarrhea.
Smiles
C(CC(O)=O)(C(O)=O)C
Molecular Formula
C5H8O4
Molecular Weight
132.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methylsuccinic acid

2-methylbutanedioic acid is a dicarboxylic acid that is butanedioic acid substituted at position 2 by a methyl group. It is a conjugate acid of a methylsuccinate.

CAS Number498-21-5
PubChem CID10349
IUPAC Name2-methylbutanedioic acid
Molecular FormulaC5H8O4
Molecular Weight132.11
XLogP-0.2
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity129
SMILES
CC(CC(=O)O)C(=O)O
InChI
InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)
InChIKey
WXUAQHNMJWJLTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methylsuccinic acid
CAS: 498-21-5
CID: 10349
Formula: C5H8O4
MW: 132.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.11
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass132.04225873
Monoisotopic Mass132.04225873
Topological Polar Surface Area74.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-W010381-012-Methylsuccinic acid
TRC-M329045-1GMethylsuccinic Acid
HY-W010381S-012-Methylsuccinic acid-d6
HY-W010381R-012-Methylsuccinic acid (Standard)
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