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Stearic acid-1-13C

CAT: 0804-HY-B2219SSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B2219SSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Stearic acid-1-13C is the 13C labeled Stearic acid. Stearic acid is a long chain dietary saturated fatty acid which exists in many animal and vegetable fats and oils.
CAS Number
85541-42-0
UNSPSC
12352211
Hazard Statement
H315
Target
Endogenous Metabolite
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Cancer; Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/stearic-acid-1-13c.html
Purity
99.4
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCCCCCCCCC[13C](O)=O
Molecular Formula
C17 13CH36O2
Molecular Weight
285.47
Precautions
H315
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

(1-~13~C)Octadecanoic acid
CAS Number85541-42-0
PubChem CID16211897
IUPAC Name(113C)octadecanoic acid
Molecular FormulaC18H36O2
Molecular Weight285.5
XLogP7.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count20
Formal Charge0
Complexity202
SMILES
CCCCCCCCCCCCCCCCC[13C](=O)O
InChI
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i18+1
InChIKey
QIQXTHQIDYTFRH-CPZJZEHKSA-N
Chemical Structure
2D Structure
2D structure of (1-~13~C)Octadecanoic acid
CAS: 85541-42-0
CID: 16211897
Formula: C18H36O2
MW: 285.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.5
XLogP37.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass285.274885222
Monoisotopic Mass285.274885222
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity202
Isotope Atom Count1
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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