BRN 2800860

3-[3-[3-[3-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-3-oxopropoxy]propoxy]propanoylamino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid

CAS: 25903-28-0

Molecular Formula	`C31H34I6N4O10`
Molecular Weight	1384.0 g/mol
LogP	4.0
Topological Polar Surface Area	209.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	20
Exact Mass	1383.6543
Heavy Atoms	51
Complexity	1120.0

Chemical Identifiers

CAS Number	25903-28-0
SMILES	`CCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CC)I)I)C(=O)O)I`
InChIKey	`MJOBKBZNCGOLLJ-UHFFFAOYSA-N`

📖 Product Overview

BRN 2800860 (CAS: 25903-28-0) is a chemical compound with molecular formula C31H34I6N4O10 and molecular weight 1384.0 g/mol. Its IUPAC systematic name is 3-[3-[3-[3-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-3-oxopropoxy]propoxy]propanoylamino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid. LogP 4.0 Topological Polar Surface Area 209.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 10 Rotatable Bonds 20 Exact Mass 1383.6543 Heavy Atoms 51 Complexity 1120.0 InChI Key: MJOBKBZNCGOLLJ-UHFFFAOYSA-N. SMILES: CCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CC)I)I)C(=O)O)I.

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