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13724-24-8 | 5,5'-(Adipoyldiimino)bis[2,4,6-triiodo-3-(carbamoyl)benzoic acid]
CAS No: 13724-24-8 Catalog No: AG00A20T MDL No:
Product Description
Catalog Number:
AG00A20T
Chemical Name:
5,5'-(Adipoyldiimino)bis[2,4,6-triiodo-3-(carbamoyl)benzoic acid]
CAS Number:
13724-24-8
IUPAC Name:
3-carbamoyl-5-[[6-(3-carbamoyl-5-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid
InChI:
InChI=1S/C22H16I6N4O8/c23-11-7(19(29)35)13(25)17(15(27)9(11)21(37)38)31-5(33)3-1-2-4-6(34)32-18-14(26)8(20(30)36)12(24)10(16(18)28)22(39)40/h1-4H2,(H2,29,35)(H2,30,36)(H,31,33)(H,32,34)(H,37,38)(H,39,40)
InChI Key:
ZHDAENNVPWGPNT-UHFFFAOYSA-N
Properties
Complexity:
946
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1225.524g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
1225.817g/mol
Monoisotopic Mass:
1225.524g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
219A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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