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Palmitone

CAT: 0013-GTR19202260-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202260-01Size:500 mg
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Description
Palmitone is a natural compound with demonstrated activity against Neisseria gonorrhoeae. It serves as a research tool in microbiology and infectious disease studies for investigating novel antibacterial mechanisms in both in vitro and in vivo experimental models.
CAS Number
502-73-8
Product Name Alternative
16-Hentriacontanone, NSC 953, NSC953, NSC-953, Palmitone, Pentadecyl ketone
Solubility
DMSO:Soluble
Smiles
CCCCCCCCCCCCCCCC (=O) CCCCCCCCCCCCCCC
Molecular Formula
C31H62O
Molecular Weight
450.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

16-Hentriacontanone

Hentriacontan-16-one is a dialkyl ketone that is hentriacontane in which the hydrogens at position 16 are replaced by an oxo group. It has a role as a metabolite and an anticonvulsant. It derives from a hydride of a hentriacontane.

CAS Number502-73-8
PubChem CID94741
IUPAC Namehentriacontan-16-one
Molecular FormulaC31H62O
Molecular Weight450.8
XLogP14.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count28
Heavy Atom Count32
Formal Charge0
Complexity316
SMILES
CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKey
UNRFDARCMOHDBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 16-Hentriacontanone
CAS: 502-73-8
CID: 94741
Formula: C31H62O
MW: 450.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.8
XLogP314.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count28
Exact Mass450.480066597
Monoisotopic Mass450.480066597
Topological Polar Surface Area17.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity316
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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