Compound C27H33NO9

1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylpropan-1-ol;2-hydroxy-2-oxoacetate

CAS: 40680-74-8

Molecular Formula	`C27H33NO9`
Molecular Weight	515.6 g/mol
Topological Polar Surface Area	143.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	10
Exact Mass	515.2155
Heavy Atoms	37
Complexity	600.0

Chemical Identifiers

CAS Number	40680-74-8
SMILES	`COC1=C(C(=C(C2=C1C=CO2)OC)OCC[NH+]3CCCC3)C(CCC4=CC=CC=C4)O.C(=O)(C(=O)[O-])O`
InChIKey	`GYMGXQBDANURGI-UHFFFAOYSA-N`

📖 Product Overview

Compound C27H33NO9 (CAS: 40680-74-8) is a chemical compound with molecular formula C27H33NO9 and molecular weight 515.6 g/mol. Its IUPAC systematic name is 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylpropan-1-ol;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 143.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 10 Exact Mass 515.2155 Heavy Atoms 37 Complexity 600.0 InChI Key: GYMGXQBDANURGI-UHFFFAOYSA-N. SMILES: COC1=C(C(=C(C2=C1C=CO2)OC)OCC[NH+]3CCCC3)C(CCC4=CC=CC=C4)O.C(=O)(C(=O)[O-])O.

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