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83662-93-5 | 6,10,16,20-Pentacosanetetrone, 8,18-dihydroxy-
CAS No: 83662-93-5 Catalog No: AG0056UV MDL No:
Product Description
Catalog Number:
AG0056UV
Chemical Name:
6,10,16,20-Pentacosanetetrone, 8,18-dihydroxy-
CAS Number:
83662-93-5
Molecular Formula:
C25H44O6
Molecular Weight:
440.6133
IUPAC Name:
8,18-dihydroxypentacosane-6,10,16,20-tetrone
InChI:
InChI=1S/C25H44O6/c1-3-5-8-12-20(26)16-24(30)18-22(28)14-10-7-11-15-23(29)19-25(31)17-21(27)13-9-6-4-2/h24-25,30-31H,3-19H2,1-2H3
InChI Key:
FBUYAFWYGOFFSK-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)CC(CC(=O)CCCCCC(=O)CC(CC(=O)CCCCC)O)O
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.314g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
440.621g/mol
Monoisotopic Mass:
440.314g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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