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171897-73-7 | Cyclic Iodixanol (90%)
CAS No: 171897-73-7 Catalog No: AG01CBAV MDL No:
Product Description
Catalog Number:
AG01CBAV
Chemical Name:
Cyclic Iodixanol (90%)
CAS Number:
171897-73-7
IUPAC Name:
2-[[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]methyl]-6-N,8-N-bis(2,3-dihydroxypropyl)-5,7-diiodo-3,4-dihydro-2H-1,4-benzoxazine-6,8-dicarboxamide
InChI:
InChI=1S/C33H41I5N6O14/c1-12(49)44(28-25(37)19(31(55)41-3-14(51)9-46)22(34)20(26(28)38)32(56)42-4-15(52)10-47)7-17-6-39-27-24(36)18(30(54)40-2-13(50)8-45)23(35)21(29(27)58-17)33(57)43-5-16(53)11-48/h13-17,39,45-48,50-53H,2-11H2,1H3,(H,40,54)(H,41,55)(H,42,56)(H,43,57)
InChI Key:
LYIJUUXTEQUZFV-UHFFFAOYSA-N
Properties
Complexity:
1360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1379.79g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
13
Isotope Atom Count:
0
Molecular Weight:
1380.241g/mol
Monoisotopic Mass:
1379.79g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
320A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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