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10397-78-1 | 5,5'-[Decamethylenebis(carbonylimino)]bis(N-methyl-2,4,6-triiodoisophthalamic acid)
CAS No: 10397-78-1 Catalog No: AG009N2H MDL No:
Product Description
Catalog Number:
AG009N2H
Chemical Name:
5,5'-[Decamethylenebis(carbonylimino)]bis(N-methyl-2,4,6-triiodoisophthalamic acid)
CAS Number:
10397-78-1
IUPAC Name:
3-[[12-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-12-oxododecanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
InChI:
InChI=1S/C30H32I6N4O8/c1-37-27(43)15-19(31)17(29(45)46)23(35)25(21(15)33)39-13(41)11-9-7-5-3-4-6-8-10-12-14(42)40-26-22(34)16(28(44)38-2)20(32)18(24(26)36)30(47)48/h3-12H2,1-2H3,(H,37,43)(H,38,44)(H,39,41)(H,40,42)(H,45,46)(H,47,48)
InChI Key:
WPTAMNDITBLLSY-UHFFFAOYSA-N
UNII:
I7GB1YG0GB
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1337.649g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
1338.033g/mol
Monoisotopic Mass:
1337.649g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
191A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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