Potassium trihydrogen dioxalate dihydrate

CAS 6100-20-5  ·  C₈H₄K₈O₁₈  ·  MW 254.19 g/mol

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3D model Potassium trihydrogen dioxalate dihydrate, CAS 6100-20-5, molecular formula C₈H₄K₈O₁₈, molar mass 254.19 g/mol
About Potassium trihydrogen dioxalate dihydrate

Potassium trihydrogen dioxalate dihydrate is a chemical compound registered under number CAS 6100-20-5, with the molecular formula C₈H₄K₈O₁₈, and a molar mass of 254.19 g/mol.

The molecule contains 22 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is potassium;2-hydroxy-2-oxoacetate;oxalic acid;dihydrate. 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, polar surface area PSA = 154 Ų, 5 donors and 10 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 formulaC₈H₄K₈O₁₈
Molar mass254.19 g/mol
IUPACpotassium;2-hydroxy-2-oxoacetate;oxalic acid;dihydrate
SMILESC(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.O.O.[K+]
InChIKeyKPFHSTZUXXJAES-UHFFFAOYSA-M
logP (XLogP3)—
PSA154 Ų
HBD / HBA5 / 10
PubChem CIDCID 23664780 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07
GHS08
GHS08

H302 — Harmful if swallowed

H312 — Harmful in contact with skin

H315 — Causes skin irritation

H318 — Causes serious eye damage

H335 — May cause respiratory irritation

H373 — May cause damage to organs through prolonged or repeated exposure

Scientific literature

Related literature

4 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 4)

1994: number of articles 119942023: number of articles 32023

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
6100-20-5 · Potassium trihydrogen dioxalate dihydrate · POTASSIUM TETROXALATE DIHYDRATE · Potassium tetroxalate dihydrate [MI] · OQ8R5Z714T · Potassium oxalate (KH3(C2O4)2) dihydrate · Ethanedioic acid, potassium salt, hydrate (2:1:2) · RefChem:868175 · 612-064-2 · Potassium tetraoxalate dihydrate · UNII-OQ8R5Z714T · Oxalic Acid Potassium Salt Dihydrate · MFCD00150443 · orb2942087 · SCHEMBL7901325
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 5 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/23664780
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Potassium trihydrogen dioxalate dihydrate (CAS 6100-20-5), C₈H₄K₈O₁₈ - 3D ball-and-stick molecular model, engraved element symbols (C H K O), MolGod STL previewDownload image

MG-STL-6100-20-5-ENGRAVED · 336,086 △ · 16 MB · SHA-256 c3c58bd94b813c3c

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Potassium trihydrogen dioxalate dihydrate (CAS 6100-20-5), C₈H₄K₈O₁₈ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
Potassium trihydrogen dioxalate dihydrate · 6100-20-5
InChIKey
KPFHSTZUXXJAES-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Potassium trihydrogen dioxalate dihydrate (CAS 6100-20-5)
License & provenance record
Potassium trihydrogen dioxalate dihydrate (CAS 6100-20-5) →
MolGod molecule record
Potassium trihydrogen dioxalate dihydrate →
Source data
PubChem CID 23664780 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
339b5251cfa16416a5c19d06355bca86b3dde9ed0401c6688a521534566c8161
MD5 (STL)
ec7e3c540d333fb5b4c32729f353fdcc
Model identifier
MG-STL-6100-20-5
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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