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18-Methoxy-18-oxooctadecanoic acid

CAT: 0804-HY-W105737-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W105737-01Size:250 mg
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Description
18-Methoxy-18-oxooctadecanoic acid is a long alkane linker with a terminal carboxylic acid group. The terminal carboxylic acid group can react with primary amine groups in the presence of activators (e.g. HATU) to form a stable amide bond.
CAS Number
72849-35-5
UNSPSC
12352211
Hazard Statement
H315, H319, H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Purity
99.66
Smiles
C(CCCCCCCCCCCCCCCCC(=O)O)(=O)OC
Molecular Formula
C19H36O4
Molecular Weight
328.49
Precautions
H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

18-Methoxy-18-oxooctadecanoic acid
CAS Number72849-35-5
PubChem CID320844
IUPAC Name18-methoxy-18-oxooctadecanoic acid
Molecular FormulaC19H36O4
Molecular Weight328.5
XLogP6.8
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count18
Heavy Atom Count23
Formal Charge0
Complexity289
SMILES
COC(=O)CCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C19H36O4/c1-23-19(22)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-17H2,1H3,(H,20,21)
InChIKey
RHRXFESGFLYUHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 18-Methoxy-18-oxooctadecanoic acid
CAS: 72849-35-5
CID: 320844
Formula: C19H36O4
MW: 328.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.5
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count18
Exact Mass328.26135963
Monoisotopic Mass328.26135963
Topological Polar Surface Area63.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity289
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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Alternative Products

CatalogName
OR92384-0118-Methoxy-18-oxooctadecanoic acid
GTR19280801-0118-Oxooctadecanoic acid
PHA62551-0118- (Benzyloxy) -18-oxooctadecanoic acid
RG-E140610-0118-ethoxy-18-oxooctadecanoic acid
FT159376-0118- (Tert-butoxy) -18-oxooctadecanoic acid
TRC-B415183-2.5G18-(tert-Butoxy)-18-oxooctadecanoic Acid
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TRC-S686499-25MGOctadecanoic-18,18,18-d3 Acid
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