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75871-98-6 | 5,5'-[(1,3-Dioxo-1,3-propanediyl)bis(methylimino)]bis[N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-1,3-benzenedicarboxamide]
CAS No: 75871-98-6 Catalog No: AG00GQ3F MDL No:
Product Description
Catalog Number:
AG00GQ3F
Chemical Name:
5,5'-[(1,3-Dioxo-1,3-propanediyl)bis(methylimino)]bis[N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-1,3-benzenedicarboxamide]
CAS Number:
75871-98-6
IUPAC Name:
5-[[3-[3,5-bis(1,3-dihydroxypropan-2-ylcarbamoyl)-2,4,6-triiodo-N-methylanilino]-3-oxopropanoyl]-methylamino]-1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzene-1,3-dicarboxamide
InChI:
InChI=1S/C33H40I6N6O14/c1-44(28-24(36)18(30(56)40-12(4-46)5-47)22(34)19(25(28)37)31(57)41-13(6-48)7-49)16(54)3-17(55)45(2)29-26(38)20(32(58)42-14(8-50)9-51)23(35)21(27(29)39)33(59)43-15(10-52)11-53/h12-15,46-53H,3-11H2,1-2H3,(H,40,56)(H,41,57)(H,42,58)(H,43,59)
InChI Key:
PASMMXVVBFHXBN-UHFFFAOYSA-N
Properties
Complexity:
1250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1505.687g/mol
Formal Charge:
0
Heavy Atom Count:
59
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
12
Isotope Atom Count:
0
Molecular Weight:
1506.138g/mol
Monoisotopic Mass:
1505.687g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
319A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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