BRN 2800747

3-[[8-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-8-oxooctanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid

CAS: 25901-44-4

Molecular Formula	`C30H32I6N4O8`
Molecular Weight	1338.0 g/mol
LogP	5.8
Topological Polar Surface Area	191.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	17
Exact Mass	1337.6488
Heavy Atoms	48
Complexity	1070.0

Chemical Identifiers

CAS Number	25901-44-4
SMILES	`CCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CC)I)I)C(=O)O)I`
InChIKey	`VUWCRVURMGNSNI-UHFFFAOYSA-N`

📖 Product Overview

BRN 2800747 (CAS: 25901-44-4) is a chemical compound with molecular formula C30H32I6N4O8 and molecular weight 1338.0 g/mol. Its IUPAC systematic name is 3-[[8-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-8-oxooctanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid. LogP 5.8 Topological Polar Surface Area 191.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 8 Rotatable Bonds 17 Exact Mass 1337.6488 Heavy Atoms 48 Complexity 1070.0 InChI Key: VUWCRVURMGNSNI-UHFFFAOYSA-N. SMILES: CCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CC)I)I)C(=O)O)I.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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