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DL-Citramalic Acid

CAT: 0572-TRC-A240088-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A240088-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2306-22-1
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CC(O)(CC(=O)O)C(=O)O
Molecular Formula
C5H8O5
Molecular Weight
148.11
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

(+-)-Citramalic acid

Citramalic acid is a 2-hydroxydicarboxylic acid that is malic acid (hydroxysuccinic acid) in which the hydrogen at position 2 is substituted by a methyl group. It has a role as a plant metabolite, a human metabolite and an algal metabolite. It is a dicarboxylic fatty acid, a 2-hydroxydicarboxylic acid and a 3-hydroxy carboxylic acid. It is functionally related to a succinic acid. It is a conjugate acid of a citramalate(2-).

CAS Number2306-22-1
PubChem CID1081
IUPAC Name2-hydroxy-2-methylbutanedioic acid
Molecular FormulaC5H8O5
Molecular Weight148.11
XLogP-0.9
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity163
SMILES
CC(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)
InChIKey
XFTRTWQBIOMVPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-Citramalic acid
CAS: 2306-22-1
CID: 1081
Formula: C5H8O5
MW: 148.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.11
XLogP3-0.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass148.03717335
Monoisotopic Mass148.03717335
Topological Polar Surface Area94.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity163
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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