Quercetin pentaacetate

[2-acetyloxy-4-(3,5,7-triacetyloxy-4-oxochromen-2-yl)phenyl] acetate

CAS: 1064-06-8

Molecular Formula	`C25H20O12`
Molecular Weight	512.4 g/mol
LogP	2.1
Topological Polar Surface Area	158.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	12
Rotatable Bonds	11
Exact Mass	512.09546
Heavy Atoms	37
Complexity	998.0

Chemical Identifiers

CAS Number	1064-06-8
SMILES	`CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C`
InChIKey	`JQUHMSXLZZWRHU-UHFFFAOYSA-N`

📖 Product Overview

Quercetin pentaacetate (CAS: 1064-06-8) is a chemical compound with molecular formula C25H20O12 and molecular weight 512.4 g/mol. Its IUPAC systematic name is [2-acetyloxy-4-(3,5,7-triacetyloxy-4-oxochromen-2-yl)phenyl] acetate. LogP 2.1 Topological Polar Surface Area 158.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 12 Rotatable Bonds 11 Exact Mass 512.09546 Heavy Atoms 37 Complexity 998.0 InChI Key: JQUHMSXLZZWRHU-UHFFFAOYSA-N. SMILES: CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.

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