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13-Oxo-octadecanoic acid

CAT: 0804-HY-W772863-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W772863-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
13-Oxo-octadecanoic acid (13-Oxostearic acid) is an ester product.
CAS Number
2389-06-2
Product Name Alternative
13-Oxostearic acid
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/13-oxo-octadecanoic-acid.html
Purity
98.0
Solubility
DMSO : 5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CCCCCC(=O)CCCCCCCCCCCC(=O)O
Molecular Formula
C18H34O3
Molecular Weight
298.46
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

13-Oxooctadecanoic acid

13-oxo-octadecanoic acid is a long-chain fatty acid.

CAS Number2389-06-2
PubChem CID4163990
IUPAC Name13-oxooctadecanoic acid
Molecular FormulaC18H34O3
Molecular Weight298.5
XLogP5.8
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Heavy Atom Count21
Formal Charge0
Complexity261
SMILES
CCCCCC(=O)CCCCCCCCCCCC(=O)O
InChI
InChI=1S/C18H34O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
InChIKey
XJZICDVDQHWVAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 13-Oxooctadecanoic acid
CAS: 2389-06-2
CID: 4163990
Formula: C18H34O3
MW: 298.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.5
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Exact Mass298.25079494
Monoisotopic Mass298.25079494
Topological Polar Surface Area54.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity261
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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