Compound C32H32N2O12

2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid

CAS: 2411-89-4

Molecular Formula	`C32H32N2O12`
Molecular Weight	636.6 g/mol
LogP	-2.0
Topological Polar Surface Area	222.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	14
Exact Mass	636.1955
Heavy Atoms	46
Complexity	1050.0

Chemical Identifiers

CAS Number	2411-89-4
SMILES	`CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)O)CC(=O)O`
InChIKey	`IYZPEGVSBUNMBE-UHFFFAOYSA-N`

📖 Product Overview

Compound C32H32N2O12 (CAS: 2411-89-4) is a chemical compound with molecular formula C32H32N2O12 and molecular weight 636.6 g/mol. Its IUPAC systematic name is 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid. LogP -2.0 Topological Polar Surface Area 222.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 14 Rotatable Bonds 14 Exact Mass 636.1955 Heavy Atoms 46 Complexity 1050.0 InChI Key: IYZPEGVSBUNMBE-UHFFFAOYSA-N. SMILES: CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)O)CC(=O)O.

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