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66019-25-8 | Oxazolium, 3-ethyl-2-heptadecyl-4-((heptadecyloxy)carbonyl)-4,5-dihydr o-, ethyl sulfate
CAS No: 66019-25-8 Catalog No: AG00FX88 MDL No:
Product Description
Catalog Number:
AG00FX88
Chemical Name:
Oxazolium, 3-ethyl-2-heptadecyl-4-((heptadecyloxy)carbonyl)-4,5-dihydr o-, ethyl sulfate
CAS Number:
66019-25-8
IUPAC Name:
ethyl sulfate;heptadecyl 3-ethyl-2-heptadecyl-4,5-dihydro-1,3-oxazol-3-ium-4-carboxylate
InChI:
InChI=1S/C40H78NO3.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(6-3)38(37-44-39)40(42)43-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h38H,4-37H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChI Key:
YKCMUQDSOBDDGW-UHFFFAOYSA-M
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
745.589g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
746.186g/mol
Monoisotopic Mass:
745.589g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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