Salicin

CAS 138-52-3  ·  C13H18O7  ·  MW 286.28 g/mol

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3D model Salicin, CAS 138-52-3, molecular formula C13H18O7, molar mass 286.28 g/mol
About Salicin

Salicin is a chemical compound registered under number CAS 138-52-3, with the molecular formula C13H18O7, and a molar mass of 286.28 g/mol.

The molecule contains 38 atoms connected by 39 chemical bonds. The full systematic IUPAC name of this compound is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]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 = -1.2 (negative value, a hydrophilic compound), polar surface area PSA = 120 Ų, 5 donors and 7 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
Molecular formulaC13H18O7
Masa molowa286.28 g/mol
IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
SMILESC1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChIKeyNGFMICBWJRZIBI-UJPOAAIJSA-N
logP (XLogP3)-1.2
PSA120 Ų
HBD / HBA5 / 7
PubChem CIDCID 439503 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
Scientific literature

Brak articles naukowych dla CAS 138-52-3 w PubMed / OpenAlex / Semantic Scholar.

Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Salicin — CAS 138-52-3

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Salicin (CAS 138-52-3) — License & Provenance

Source:
Salicin (CAS 138-52-3) — MolGod molecule record

Source data: PubChem CID 439503

STL: Download 3D model (777 KB)

SHA-256: 80d246ad9fef6f56dd2419d3312806af05f64ce634a2d74db91a7c1ffe1a6e41

Wikimedia Commons: not published yet

Source data: PubChem CID 439503

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