BENZOIC ACID, 3,3'-(SEBACOYLDIIMINO)BIS(5-(BUTYRAMIDOMETHYL)-2,4,6-TRIIODO-

3-[(butanoylamino)methyl]-5-[[10-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-10-oxodecanoyl]amino]-2,4,6-triiodobenzoic acid

CAS: 25903-32-6

Molecular Formula	`C34H40I6N4O8`
Molecular Weight	1394.1 g/mol
LogP	7.6
Topological Polar Surface Area	191.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	21
Exact Mass	1393.7114
Heavy Atoms	52
Complexity	1130.0

Chemical Identifiers

CAS Number	25903-32-6
SMILES	`CCCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CCC)I)I)C(=O)O)I`
InChIKey	`VQNIZCPAKWCPSU-UHFFFAOYSA-N`

📖 Product Overview

BENZOIC ACID, 3,3'-(SEBACOYLDIIMINO)BIS(5-(BUTYRAMIDOMETHYL)-2,4,6-TRIIODO- (CAS: 25903-32-6) is a chemical compound with molecular formula C34H40I6N4O8 and molecular weight 1394.1 g/mol. Its IUPAC systematic name is 3-[(butanoylamino)methyl]-5-[[10-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-10-oxodecanoyl]amino]-2,4,6-triiodobenzoic acid. LogP 7.6 Topological Polar Surface Area 191.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 8 Rotatable Bonds 21 Exact Mass 1393.7114 Heavy Atoms 52 Complexity 1130.0 InChI Key: VQNIZCPAKWCPSU-UHFFFAOYSA-N. SMILES: CCCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CCC)I)I)C(=O)O)I.

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