Indoxyl-beta-D-glucoside

CAS 487-60-5  ·  C14H17NO6  ·  MW 295.29 g/mol

Full record: Indoxyl-beta-D-glucoside — Safety Data Sheet →

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3D model Indoxyl-beta-D-glucoside, CAS 487-60-5, molecular formula C14H17NO6, molar mass 295.29 g/mol

Model views

  • Indoxyl-beta-D-glucoside (CAS 487-60-5) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Indoxyl-beta-D-glucoside (CAS 487-60-5) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Indoxyl-beta-D-glucoside (CAS 487-60-5) – 2D structure, MolGod Viewer
    2D structure

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About 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC14H17NO6
Molar mass295.29 g/mol
IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol
SMILESC1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChIKeyXVARCVCWNFACQC-RKQHYHRCSA-N
logP (XLogP3)-0.1
PSA115 Ų
HBD / HBA5 / 6
PubChem CIDCID 441564 ↗
Scientific literature

Related literature

1 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
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)
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Indoxyl-beta-D-glucoside · 487-60-5
InChIKey
XVARCVCWNFACQC-RKQHYHRCSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Indoxyl-beta-D-glucoside (CAS 487-60-5)
License & provenance record
Indoxyl-beta-D-glucoside (CAS 487-60-5) →
MolGod molecule record
Indoxyl-beta-D-glucoside →
Source data
PubChem CID 441564 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
6463fa0ff240a8ad5eeda9a3acd486f28e944723d4b450168c83b8c93dac0fc4
MD5 (STL)
6a1b8b6f1ad09226f876ba02ca3f248c
MolGod Identification Number
MG_519-409-450-21
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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