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113578-15-7 | 4-Octacosanone, 24-hydroxy-
CAS No: 113578-15-7 Catalog No: AG000910 MDL No:
Product Description
Catalog Number:
AG000910
Chemical Name:
4-Octacosanone, 24-hydroxy-
CAS Number:
113578-15-7
Molecular Formula:
C28H56O2
Molecular Weight:
424.7430
IUPAC Name:
24-hydroxyoctacosan-4-one
InChI:
InChI=1S/C28H56O2/c1-3-5-24-28(30)26-22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-25-27(29)23-4-2/h28,30H,3-26H2,1-2H3
InChI Key:
MTVMCAVIRSCQSX-UHFFFAOYSA-N
SMILES:
CCCCC(CCCCCCCCCCCCCCCCCCCC(=O)CCC)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.428g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.754g/mol
Monoisotopic Mass:
424.428g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
Literature
| Title | Journal |
|---|---|
| In vitro antituberculosis activities of the constituents isolated from Haloxylon salicornicum. | Bioorganic & medicinal chemistry letters 20100715 |
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