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255376-57-9 | Des(2,3-dihydroxypropyl) Iodixanol
CAS No: 255376-57-9 Catalog No: AG00C3UQ MDL No:
Product Description
Catalog Number:
AG00C3UQ
Chemical Name:
Des(2,3-dihydroxypropyl) Iodixanol
CAS Number:
255376-57-9
IUPAC Name:
5-[acetyl-[3-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]amino]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
InChI:
InChI=1S/C32H38I6N6O13/c1-11(48)43(27-23(35)17(29(39)54)21(33)18(24(27)36)30(55)40-3-13(50)8-45)6-16(53)7-44(12(2)49)28-25(37)19(31(56)41-4-14(51)9-46)22(34)20(26(28)38)32(57)42-5-15(52)10-47/h13-16,45-47,50-53H,3-10H2,1-2H3,(H2,39,54)(H,40,55)(H,41,56)(H,42,57)
InChI Key:
ODLMOUNYBXWCKZ-UHFFFAOYSA-N
Properties
Complexity:
1370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1475.677g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
11
Isotope Atom Count:
0
Molecular Weight:
1476.112g/mol
Monoisotopic Mass:
1475.677g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
313A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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