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81045-33-2 | Iodecol
CAS No: 81045-33-2 Catalog No: AG00G74P MDL No:
Product Description
Catalog Number:
AG00G74P
Chemical Name:
Iodecol
CAS Number:
81045-33-2
IUPAC Name:
5-[[3-[3,5-bis(1,3-dihydroxypropan-2-ylcarbamoyl)-N-(2-hydroxyethyl)-2,4,6-triiodoanilino]-3-oxopropanoyl]-(2-hydroxyethyl)amino]-1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzene-1,3-dicarboxamide
InChI:
InChI=1S/C35H44I6N6O16/c36-24-20(32(60)42-14(6-50)7-51)26(38)30(27(39)21(24)33(61)43-15(8-52)9-53)46(1-3-48)18(58)5-19(59)47(2-4-49)31-28(40)22(34(62)44-16(10-54)11-55)25(37)23(29(31)41)35(63)45-17(12-56)13-57/h14-17,48-57H,1-13H2,(H,42,60)(H,43,61)(H,44,62)(H,45,63)
InChI Key:
RHISTIGVAKTTCM-UHFFFAOYSA-N
UNII:
3SDG4RSP99
Properties
Complexity:
1320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1565.708g/mol
Formal Charge:
0
Heavy Atom Count:
63
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
14
Isotope Atom Count:
0
Molecular Weight:
1566.19g/mol
Monoisotopic Mass:
1565.708g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
359A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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