Sodium Acetate Trihydrate

CAS 6131-90-4  ·  C₂H₉NaO₅  ·  MW 136.08 g/mol

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3D model Sodium Acetate Trihydrate, CAS 6131-90-4, molecular formula C₂H₉NaO₅, molar mass 136.08 g/mol
About Sodium Acetate Trihydrate

Sodium Acetate Trihydrate is a chemical compound registered under number CAS 6131-90-4, with the molecular formula C₂H₉NaO₅, and a molar mass of 136.08 g/mol.

The molecule contains 17 atoms connected by 13 chemical bonds. The full systematic IUPAC name of this compound is sodium;acetate;trihydrate. 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 = 43.1 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC₂H₉NaO₅
Molar mass136.08 g/mol
IUPACsodium;acetate;trihydrate
SMILESCC(=O)[O-].O.O.O.[Na+]
InChIKeyAYRVGWHSXIMRAB-UHFFFAOYSA-M
logP (XLogP3)—
PSA43.1 Ų
HBD / HBA3 / 5
PubChem CIDCID 23665404 ↗
Scientific literature

Related literature

20 articles · 16 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (number of articles: 20)

1996: number of articles 119962011: number of articles 22015: number of articles 12016: number of articles 32017: number of articles 12018: number of articles 120182019: number of articles 12024: number of articles 12025: number of articles 62026: number of articles 32026

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
SODIUM ACETATE TRIHYDRATE · 6131-90-4 · Acetic acid, sodium salt, trihydrate · Tutofusin · CHEBI:32138 · RefChem:887213 · DTXCID9043011 · 612-115-9 · sodium;acetate;trihydrate · Acetic acid sodium salt trihydrate · MFCD00071557 · Plasmafusin · Thomaegelin · Natrium acetate-3-wasser · C2H9NaO5
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/23665404
  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)
Sodium Acetate Trihydrate (CAS 6131-90-4), C₂H₉NaO₅ - 3D ball-and-stick molecular model, engraved element symbols (C H Na O), MolGod STL previewDownload image

MG-STL-6131-90-4-ENGRAVED · 234,024 △ · 11 MB · SHA-256 adeee4058d5e75e4

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Sodium Acetate Trihydrate (CAS 6131-90-4), C₂H₉NaO₅ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-6131-90-4-NORMAL · 6,688 △ · 327 KB · SHA-256 73d201981078c9e7

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Model
Sodium Acetate Trihydrate · 6131-90-4
InChIKey
AYRVGWHSXIMRAB-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Sodium Acetate Trihydrate (CAS 6131-90-4)
License & provenance record
Sodium Acetate Trihydrate (CAS 6131-90-4) →
MolGod molecule record
Sodium Acetate Trihydrate →
Source data
PubChem CID 23665404 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
73d201981078c9e7c83eba04ea5fa02af3edb8d712717fd608334457eb5c91e6
MD5 (STL)
72a4c6d50d34605bf07eaace24ee23b5
Model identifier
MG-STL-6131-90-4
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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