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10395-29-6 | Isophthalamic acid,5,5'-(suberoyldiimino)bis[2,4,6-triiodo-N-propyl- (7CI,8CI)
CAS No: 10395-29-6 Catalog No: AG00856N MDL No:
Product Description
Catalog Number:
AG00856N
Chemical Name:
Isophthalamic acid,5,5'-(suberoyldiimino)bis[2,4,6-triiodo-N-propyl- (7CI,8CI)
CAS Number:
10395-29-6
Molecular Formula:
C30H32I6N4O8
Molecular Weight:
1338.0239
IUPAC Name:
3-[[8-[3-carboxy-2,4,6-triiodo-5-(propylcarbamoyl)anilino]-8-oxooctanoyl]amino]-2,4,6-triiodo-5-(propylcarbamoyl)benzoic acid
InChI:
InChI=1S/C30H32I6N4O8/c1-3-11-37-27(43)15-19(31)17(29(45)46)23(35)25(21(15)33)39-13(41)9-7-5-6-8-10-14(42)40-26-22(34)16(28(44)38-12-4-2)20(32)18(24(26)36)30(47)48/h3-12H2,1-2H3,(H,37,43)(H,38,44)(H,39,41)(H,40,42)(H,45,46)(H,47,48)
InChI Key:
WWMQPIVGWJJURC-UHFFFAOYSA-N
SMILES:
CCCNC(=O)c1c(I)c(NC(=O)CCCCCCC(=O)Nc2c(I)c(C(=O)O)c(c(c2I)C(=O)NCCC)I)c(c(c1I)C(=O)O)I
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1337.649g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
1338.033g/mol
Monoisotopic Mass:
1337.649g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
191A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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