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Methyl 27-hydroxyheptacosanoate

CAT: 0804-HY-165931Size: 1 EachDry Ice: NoHazardous: No
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Description
Methyl 27-hydroxyheptacosanoate is an ester product.
CAS Number
369635-50-7
UNSPSC
12352211
Target
Biochemical Assay Reagents
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/methyl-27-hydroxyheptacosanoate.html
Smiles
OCCCCCCCCCCCCCCCCCCCCCCCCCCC(OC)=O
Molecular Formula
C28H56O3
Molecular Weight
440.74
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Methyl 27-hydroxyheptacosanoate
CAS Number369635-50-7
PubChem CID45934126
IUPAC Namemethyl 27-hydroxyheptacosanoate
Molecular FormulaC28H56O3
Molecular Weight440.7
XLogP11.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count27
Heavy Atom Count31
Formal Charge0
Complexity343
SMILES
COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C28H56O3/c1-31-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29/h29H,2-27H2,1H3
InChIKey
ZAQRUXNSJGDQHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 27-hydroxyheptacosanoate
CAS: 369635-50-7
CID: 45934126
Formula: C28H56O3
MW: 440.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.7
XLogP311.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count27
Exact Mass440.42294564
Monoisotopic Mass440.42294564
Topological Polar Surface Area46.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity343
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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