FURA-2

2-[6-[bis(carboxymethyl)amino]-5-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acid

CAS: 96314-98-6

Molecular Formula	`C29H27N3O14`
Molecular Weight	641.5 g/mol
LogP	2.9
Topological Polar Surface Area	251.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	17
Rotatable Bonds	17
Exact Mass	641.1493
Heavy Atoms	46
Complexity	1080.0

Chemical Identifiers

CAS Number	96314-98-6
SMILES	`CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=C3C(=C2)C=C(O3)C4=NC=C(O4)C(=O)O)N(CC(=O)O)CC(=O)O`
InChIKey	`YFHXZQPUBCBNIP-UHFFFAOYSA-N`

📖 Product Overview

FURA-2 (CAS: 96314-98-6) is a chemical compound with molecular formula C29H27N3O14 and molecular weight 641.5 g/mol. Its IUPAC systematic name is 2-[6-[bis(carboxymethyl)amino]-5-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acid. LogP 2.9 Topological Polar Surface Area 251.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 17 Rotatable Bonds 17 Exact Mass 641.1493 Heavy Atoms 46 Complexity 1080.0 InChI Key: YFHXZQPUBCBNIP-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=C3C(=C2)C=C(O3)C4=NC=C(O4)C(=O)O)N(CC(=O)O)CC(=O)O.

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