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130793-30-5 | Hexadecanoic acid, 2-hexyl-3,5-dihydroxy-, [2S-(2R*,3R*,5R*)]- (9CI)
CAS No: 130793-30-5 Catalog No: AG000UYA MDL No:
Product Description
Catalog Number:
AG000UYA
Chemical Name:
Hexadecanoic acid, 2-hexyl-3,5-dihydroxy-, [2S-(2R*,3R*,5R*)]- (9CI)
CAS Number:
130793-30-5
IUPAC Name:
2-hexyl-3,5-dihydroxyhexadecanoic acid
InChI:
InChI=1S/C22H44O4/c1-3-5-7-9-10-11-12-13-14-16-19(23)18-21(24)20(22(25)26)17-15-8-6-4-2/h19-21,23-24H,3-18H2,1-2H3,(H,25,26)
InChI Key:
NIMYTNQMVAFHGS-UHFFFAOYSA-N
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.324g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
372.59g/mol
Monoisotopic Mass:
372.324g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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