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1333-66-0 | D-Glucitol, monohexadecanoate
CAS No: 1333-66-0 Catalog No: AG0014L6 MDL No:
Product Description
Catalog Number:
AG0014L6
Chemical Name:
D-Glucitol, monohexadecanoate
CAS Number:
1333-66-0
Molecular Formula:
C22H46O8
Molecular Weight:
438.5958
IUPAC Name:
2,3,4,5,6-pentahydroxyhexyl hexadecanoate
InChI:
InChI=1S/C22H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(26)29-17-19(25)22(28)21(27)18(24)16-23/h18-19,21-25,27-28H,2-17H2,1H3
InChI Key:
OZVSZAQHQAHZNC-UHFFFAOYSA-N
SMILES:
OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O.CCCCCCCCCCCCCCCC(=O)O
EC Number:
215-601-5
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.309g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
420.587g/mol
Monoisotopic Mass:
420.309g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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