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10395-30-9 | 5,5'-(Sebacoyldiimino)bis[2,4,6-triiodo-3-(propylcarbamoyl)benzoic acid]
CAS No: 10395-30-9 Catalog No: AG009RCC MDL No:
Product Description
Catalog Number:
AG009RCC
Chemical Name:
5,5'-(Sebacoyldiimino)bis[2,4,6-triiodo-3-(propylcarbamoyl)benzoic acid]
CAS Number:
10395-30-9
IUPAC Name:
3-[[10-[3-carboxy-2,4,6-triiodo-5-(propylcarbamoyl)anilino]-10-oxodecanoyl]amino]-2,4,6-triiodo-5-(propylcarbamoyl)benzoic acid
InChI:
InChI=1S/C32H36I6N4O8/c1-3-13-39-29(45)17-21(33)19(31(47)48)25(37)27(23(17)35)41-15(43)11-9-7-5-6-8-10-12-16(44)42-28-24(36)18(30(46)40-14-4-2)22(34)20(26(28)38)32(49)50/h3-14H2,1-2H3,(H,39,45)(H,40,46)(H,41,43)(H,42,44)(H,47,48)(H,49,50)
InChI Key:
VJOYVQFWJFNMRW-UHFFFAOYSA-N
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1365.68g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
1366.087g/mol
Monoisotopic Mass:
1365.68g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
191A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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