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Monobehenin

CAT: 0013-GTR19155344-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155344-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Monobehenin has a strong inhibitory effect on the formation of bacterial biofilm.
CAS Number
30233-64-8
Purity
>98% (HPLC)
Solubility
DMSO: 1 mg/mL (2.31mM) ; H2O: insoluble
Smiles
CCCCCCCCCCCCCCCCCCCCCC (O) =O.OCC (O) CO
Molecular Formula
C25H52O5
Molecular Weight
432.68
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Glyceryl Monobehenate

1-behenoylglycerol is a fatty acid ester resulting from the formal condensation of the hydroxy group at position-1 of glycerol with the carboxy group of docosanoic acid. It has a role as an antineoplastic agent and a plant metabolite. It is a fatty acid ester and a 1-monoglyceride. It is functionally related to a glycerol and a docosanoic acid.

CAS Number30233-64-8
PubChem CID5362585
IUPAC Name2,3-dihydroxypropyl docosanoate
Molecular FormulaC25H50O4
Molecular Weight414.7
XLogP9.6
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count24
Heavy Atom Count29
Formal Charge0
Complexity333
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
InChI
InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h24,26-27H,2-23H2,1H3
InChIKey
OKMWKBLSFKFYGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glyceryl Monobehenate
CAS: 30233-64-8
CID: 5362585
Formula: C25H50O4
MW: 414.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.7
XLogP39.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count24
Exact Mass414.37091007
Monoisotopic Mass414.37091007
Topological Polar Surface Area66.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity333
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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