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Adipic acid-13C2

CAT: 0804-HY-W017522S6Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W017522S6Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Adipic acid-13C2 (Hexanedioic acid-13C2) is 13C labeled Adipic acid. Adipic acid (Hexanedioic acid) is an orally active compound with anti-HSV-1 activity. Adipic acid has low toxicity and can be used as a food additive and a gelling agent. Adipic acid can also be used in the synthesis of lubricants, artificial resins, plastics, etc[1][2].
CAS Number
133954-44-6
Product Name Alternative
Hexanedioic acid-13C2
UNSPSC
12352211
Target
Endogenous Metabolite; HSV; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Metabolic Enzyme/Protease; Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Infection; Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/adipic-acid-13c2.html
Solubility
10 mM in DMSO
Smiles
O[13C](CCCC[13C](O)=O)=O
Molecular Formula
C4 13C2H10O4
Molecular Weight
148.13
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

(1,6-~13~C_2_)Hexanedioic acid
CAS Number133954-44-6
PubChem CID16213372
IUPAC Name(1,6-13C2)hexanedioic acid
Molecular FormulaC6H10O4
Molecular Weight148.13
XLogP0.1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity114
SMILES
C(CC[13C](=O)O)C[13C](=O)O
InChI
InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/i5+1,6+1
InChIKey
WNLRTRBMVRJNCN-MPOCSFTDSA-N
Chemical Structure
2D Structure
2D structure of (1,6-~13~C_2_)Hexanedioic acid
CAS: 133954-44-6
CID: 16213372
Formula: C6H10O4
MW: 148.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.13
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass148.06461847
Monoisotopic Mass148.06461847
Topological Polar Surface Area74.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity114
Isotope Atom Count2
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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