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108736-66-9 | 2-O-(4-iodobenzyl)glucose
CAS No: 108736-66-9 Catalog No: AG009TOL MDL No:
Product Description
Catalog Number:
AG009TOL
Chemical Name:
2-O-(4-iodobenzyl)glucose
CAS Number:
108736-66-9
IUPAC Name:
(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(4-(125I)iodanylphenyl)methoxy]hexanal
InChI:
InChI=1S/C13H17IO6/c14-9-3-1-8(2-4-9)7-20-11(6-16)13(19)12(18)10(17)5-15/h1-4,6,10-13,15,17-19H,5,7H2/t10-,11+,12-,13-/m1/s1/i14-2
InChI Key:
KLIHZNHQGXMTIA-VRTWZNOMSA-N
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
394.007g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
1
Molecular Weight:
394.178g/mol
Monoisotopic Mass:
394.007g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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