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3-hydroxy Lignoceric Acid

CAT: 0013-GTR19190879-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190879-01Size:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3-hydroxy Lignoceric Acid
CAS Number
91297-89-1
Smiles
O=C (O) CC (O) CCCCCCCCCCCCCCCCCCCCC
Molecular Formula
C24H48O3
Molecular Weight
384.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Hydroxytetracosanoic acid

3-hydroxytetracosanoic acid is a 3-hydroxy fatty acid that is the 3-hydroxy derivative of tetracosanoic (lignoceric) acid. It is functionally related to a tetracosanoic acid.

CAS Number91297-89-1
PubChem CID5312781
IUPAC Name3-hydroxytetracosanoic acid
Molecular FormulaC24H48O3
Molecular Weight384.6
XLogP10.1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count22
Heavy Atom Count27
Formal Charge0
Complexity304
SMILES
CCCCCCCCCCCCCCCCCCCCCC(CC(=O)O)O
InChI
InChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24(26)27/h23,25H,2-22H2,1H3,(H,26,27)
InChIKey
DVDLWGAAEYKXSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxytetracosanoic acid
CAS: 91297-89-1
CID: 5312781
Formula: C24H48O3
MW: 384.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.6
XLogP310.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count22
Exact Mass384.36034539
Monoisotopic Mass384.36034539
Topological Polar Surface Area57.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity304
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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