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564478-51-9 | Pyridoxine Tris-Hexyldecanoate
CAS No: 564478-51-9 Catalog No: AG00ELRW MDL No:
Product Description
Catalog Number:
AG00ELRW
Chemical Name:
Pyridoxine Tris-Hexyldecanoate
CAS Number:
564478-51-9
IUPAC Name:
[5-(2-hexyldecanoyloxy)-4-(2-hexyldecanoyloxymethyl)-6-methylpyridin-3-yl]methyl 2-hexyldecanoate
InChI:
InChI=1S/C56H101NO6/c1-8-14-20-26-29-35-40-48(38-32-23-17-11-4)54(58)61-45-51-44-57-47(7)53(63-56(60)50(42-34-25-19-13-6)43-37-31-28-22-16-10-3)52(51)46-62-55(59)49(39-33-24-18-12-5)41-36-30-27-21-15-9-2/h44,48-50H,8-43,45-46H2,1-7H3
InChI Key:
GQJPGCPNWFZCPD-UHFFFAOYSA-N
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
883.763g/mol
Formal Charge:
0
Heavy Atom Count:
63
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
884.425g/mol
Monoisotopic Mass:
883.763g/mol
Rotatable Bond Count:
47
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
21.9
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