Indoxyl-beta-D-glucoside

Indoxyl-beta-D-glucoside is a chemical compound registered under number CAS 487-60-5, with the molecular formula C₁₄H₁₇NO₆, and a molar mass of 295.29 g/mol.

The molecule contains 38 atoms connected by 40 chemical bonds. The full systematic IUPAC name of this compound is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol. 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 = -0.1 (negative value, a hydrophilic compound), polar surface area PSA = 115 Ų, 5 donors and 6 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.

Molecular formula	C14H17NO6
Masa molowa	295.29 g/mol
IUPAC	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol
SMILES	C1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChIKey	XVARCVCWNFACQC-RKQHYHRCSA-N
logP (XLogP3)	-0.1
PSA	115 Ų
HBD / HBA	5 / 6
PubChem CID	CID 441564 ↗

INDICAN · 487-60-5 · Indoxyl-beta-D-glucoside · 1H-indol-3-yl beta-D-glucopyranoside · (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol · N187WK1Y1J · CHEBI:16700 · NSC-87517 · Uindoxyl Sulfate · Sulfate, Indoxyl · Monosodium Salt, Indican · RefChem:791008 · Monopotassium Salt, Indican · 1H-Indol-3-ol Hydrogen Sulfate Ester · 1H-Indol-3-ol, hydrogen sulfate (ester)

• 📊 PubChem CID 441564 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność