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Methyl 30-hydroxytriacontanoate

CAT: 0804-HY-166123Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-166123Size:1 Each
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Description
Methyl 30-hydroxytriacontanoate is an ester product.
CAS Number
79162-70-2
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-30-hydroxytriacontanoate.html
Smiles
OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(OC)=O
Molecular Formula
C31H62O3
Molecular Weight
482.82
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Methyl 30-hydroxytriacontanoate
CAS Number79162-70-2
PubChem CID12728988
IUPAC Namemethyl 30-hydroxytriacontanoate
Molecular FormulaC31H62O3
Molecular Weight482.8
XLogP13.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count30
Heavy Atom Count34
Formal Charge0
Complexity383
SMILES
COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C31H62O3/c1-34-31(33)29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32/h32H,2-30H2,1H3
InChIKey
KLQWCGJZHUFBOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 30-hydroxytriacontanoate
CAS: 79162-70-2
CID: 12728988
Formula: C31H62O3
MW: 482.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.8
XLogP313.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count30
Exact Mass482.46989584
Monoisotopic Mass482.46989584
Topological Polar Surface Area46.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity383
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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