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Myristyl behenate

CAT: 0013-GTR19248698-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248698-01Size:250 mg
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Description
Myristyl behenate is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
42233-09-0
Smiles
CCCCCCCCCCCCCCCCCCCCCC (OCCCCCCCCCCCCCC) =O
Molecular Formula
C36H72O2
Molecular Weight
536.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tetradecyl docosanoate
CAS Number42233-09-0
PubChem CID4638357
IUPAC Nametetradecyl docosanoate
Molecular FormulaC36H72O2
Molecular Weight537.0
XLogP17.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count34
Heavy Atom Count38
Formal Charge0
Complexity433
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC
InChI
InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36(37)38-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKey
AVKVDDQTHIQFSC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetradecyl docosanoate
CAS: 42233-09-0
CID: 4638357
Formula: C36H72O2
MW: 537.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight537.0
XLogP317.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count34
Exact Mass536.55323154
Monoisotopic Mass536.55323154
Topological Polar Surface Area26.3 Ų
Heavy Atom Count38
Formal Charge0
Complexity433
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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