Quercetin 3-β-D-glucoside (CAS 21637-25-2)

Isoquercitrin

CAS 21637-25-2  ·  C21H20O12  ·  MW 464.4 g/mol

Loading molecule...
3D model Isoquercitrin, CAS 21637-25-2, molecular formula C21H20O12, molar mass 464.4 g/mol
About Quercetin 3-β-D-glucoside (CAS 21637-25-2)

Quercetin 3-β-D-glucoside (CAS 21637-25-2) is a chemical compound registered under number CAS 21637-25-2, with the molecular formula C21H20O12, and a molar mass of 464.4 g/mol.

The molecule contains 53 atoms connected by 56 chemical bonds. The full systematic IUPAC name of this compound is 3-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 0.4 (positive value, a lipophilic compound), polar surface area PSA = 207 Ų, 8 donors and 12 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Wzór sumarycznyC21H20O12
Masa molowa464.4 g/mol
IUPAC3-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
SMILESC1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)O)O
InChIKeyOPJZLUXFQFQYAI-GNPVFZCLSA-N
logP (XLogP3)0.4
PSA207 Ų
HBD / HBA8 / 12
PubChem CIDCID 5484006 ↗
Scientific literature

Related literature

20 artykułów · 10 open access · Źródła: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Timeline publikacji (20 artykułów)

2014: 2 artykułów20142015: 1 artykułów2017: 1 artykułów2020: 3 artykułów20202024: 1 artykułów2025: 10 artykułów2026: 2 artykułów2026

Wysokość słupka = liczba artykułów w roku. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
Isoquercitroside · 21637-25-2 · Isotrifolin · 0YX10VRV6J · quercetin 3-O-beta-D-glucofuranoside · 3,3',4',5,7-Pentahydroxyflavone 3-beta-D-glucofuranoside · 2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one · CHEBI:28299 · 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy- · Flavone, 3,3',4',5,7-pentahydroxy-, 3-beta-D-glucofuranoside · 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucofuranoside · RefChem:5924 · DTXCID101334095 · quercetin 3-(beta-D-glucofuranoside) · ISOQUERCETIN ENZYMATICALLY MODIFIED
Data sources
Buy in the shop
Related molecules
—