BRN 2800842

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

CAS: 51134-95-3

Molecular Formula	`C30H32I6N4O10`
Molecular Weight	1370.0 g/mol
LogP	3.7
Topological Polar Surface Area	209.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	19
Exact Mass	1369.6387
Heavy Atoms	50
Complexity	1100.0

Chemical Identifiers

CAS Number	51134-95-3
SMILES	`CCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CC)I)I)C(=O)O)I`
InChIKey	`MQTYKIAZPLAFMZ-UHFFFAOYSA-N`

📖 Product Overview

BRN 2800842 (CAS: 51134-95-3) is a chemical compound with molecular formula C30H32I6N4O10 and molecular weight 1370.0 g/mol. Its IUPAC systematic name is 3-[3-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid. LogP 3.7 Topological Polar Surface Area 209.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 10 Rotatable Bonds 19 Exact Mass 1369.6387 Heavy Atoms 50 Complexity 1100.0 InChI Key: MQTYKIAZPLAFMZ-UHFFFAOYSA-N. SMILES: CCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CC)I)I)C(=O)O)I.

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