Methyl beta-D-xylopyranoside

CAS 612-05-5  ·  C6H12O5  ·  MW 164.16 g/mol

Full record: Methyl beta-D-xylopyranoside — Safety Data Sheet →

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3D model methyl beta-D-xylopyranoside, CAS 612-05-5, molecular formula C6H12O5, molar mass 164.16 g/mol

Model views

  • Methyl beta-D-xylopyranoside (CAS 612-05-5) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Methyl beta-D-xylopyranoside (CAS 612-05-5) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Methyl beta-D-xylopyranoside (CAS 612-05-5) – 2D structure, MolGod Viewer
    2D structure

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About Methyl beta-D-xylopyranoside

Methyl beta-D-xylopyranoside is a chemical compound registered under number CAS 612-05-5, with the molecular formula C6H12O5, and a molar mass of 164.16 g/mol.

The molecule contains 23 atoms connected by 23 chemical bonds. The full systematic IUPAC name of this compound is (2R,3R,4S,5R)-2-methoxyoxane-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 = -2 (negative value, a hydrophilic compound), polar surface area PSA = 79.2 Ų, 3 donors and 5 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 formulaC6H12O5
Molar mass164.16 g/mol
IUPAC(2R,3R,4S,5R)-2-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O
InChIKeyZBDGHWFPLXXWRD-JGWLITMVSA-N
logP (XLogP3)-2
PSA79.2 Ų
HBD / HBA3 / 5
PubChem CIDCID 11768891 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Related literature

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

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 9)

1949: number of articles 119491986: number of articles 11997: number of articles 12003: number of articles 120032004: number of articles 32005: number of articles 12016: number of articles 12016

Bar height = number of articles in a given year. Hover over a bar to see details.

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

Synonyms
612-05-5 · Methyl beta-D-xylopyranoside · beta-Methyl-D-xyloside · 1-O-methyl-beta-D-xylopyranose · CHEBI:74863 · beta-D-Xylopyranoside, methyl · RefChem:1089544 · DTXCID701022999 · 210-289-7 · Methyl-beta-D-xylopyranoside · methyl xyloside · Methyl beta-D-xyloside · (2R,3R,4S,5R)-2-Methoxytetrahydro-2H-pyran-3,4,5-triol · Methyl |A-D-xylopyranoside · (2R,3R,4S,5R)-2-methoxyoxane-3,4,5-triol
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
methyl beta-D-xylopyranoside · 612-05-5
InChIKey
ZBDGHWFPLXXWRD-JGWLITMVSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — methyl beta-D-xylopyranoside (CAS 612-05-5)
License & provenance record
methyl beta-D-xylopyranoside (CAS 612-05-5) →
MolGod molecule record
methyl beta-D-xylopyranoside →
Source data
PubChem CID 11768891 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
c643139b8a9c566164f8450634b75dc8db9c258ddc87bdb377a3c901cf7709f3
MD5 (STL)
8eb6c4f014c8f343ab44810b6bb30c7e
MolGod Identification Number
MG_954-813-779-92
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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