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18244-73-0 | Benzoic acid, 3,4,5-trihydroxy-, tetradecyl ester
CAS No: 18244-73-0 Catalog No: AG0023WL MDL No:
Product Description
Catalog Number:
AG0023WL
Chemical Name:
Benzoic acid, 3,4,5-trihydroxy-, tetradecyl ester
CAS Number:
18244-73-0
Molecular Formula:
C21H34O5
Molecular Weight:
366.4917
IUPAC Name:
tetradecyl 3,4,5-trihydroxybenzoate
InChI:
InChI=1S/C21H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26-21(25)17-15-18(22)20(24)19(23)16-17/h15-16,22-24H,2-14H2,1H3
InChI Key:
BQWQGCZOPQEUIQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O
EC Number:
242-118-7
UNII:
88H62MZX2P
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.241g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
366.498g/mol
Monoisotopic Mass:
366.241g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
Literature
| Title | Journal |
|---|---|
| Antimetastatic activity and low systemic toxicity of tetradecyl gallate in a preclinical melanoma mouse model. | Investigational new drugs 20120601 |
| Relation between lipophilicity of alkyl gallates and antifungal activity against yeasts and filamentous fungi. | Bioorganic & medicinal chemistry letters 20090315 |
| Anti-HSV-1 and anti-HIV-1 activity of gallic acid and pentyl gallate. | Memorias do Instituto Oswaldo Cruz 20080801 |
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