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2-Hydroxytetracosanoic acid ethyl ester

CAT: 0013-GTR19183019Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183019Size:5 mg
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Description
This ethyl ester derivative of 2-hydroxytetracosanoic acid is a natural compound isolated from the medicinal plant Adhatoda vasica. It serves as a research tool for phytochemical studies and has been investigated in vitro for its potential biological activities, contributing to natural product and pharmacological research.
CAS Number
124111-47-3
Smiles
CCCCCCCCCCCCCCCCCCCCCCC (C (OCC) =O) O
Molecular Formula
C26H52O3
Molecular Weight
412.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Hydroxytetracosanoic acid ethyl ester
CAS Number124111-47-3
PubChem CID54478553
IUPAC Nameethyl 2-hydroxytetracosanoate
Molecular FormulaC26H52O3
Molecular Weight412.7
XLogP11.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count24
Heavy Atom Count29
Formal Charge0
Complexity330
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC)O
InChI
InChI=1S/C26H52O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(27)26(28)29-4-2/h25,27H,3-24H2,1-2H3
InChIKey
XNIPTMIZKFSVOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxytetracosanoic acid ethyl ester
CAS: 124111-47-3
CID: 54478553
Formula: C26H52O3
MW: 412.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight412.7
XLogP311.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count24
Exact Mass412.39164552
Monoisotopic Mass412.39164552
Topological Polar Surface Area46.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity330
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