Trimagnesium dicitrate

CAS 3344-18-1  ·  C₁₂H₁₀Mg₃O₁₄  ·  MW 451.12 g/mol

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3D model Trimagnesium dicitrate, CAS 3344-18-1, molecular formula C₁₂H₁₀Mg₃O₁₄, molar mass 451.12 g/mol
About Trimagnesium dicitrate

Trimagnesium dicitrate is a chemical compound registered under number CAS 3344-18-1, with the molecular formula C₁₂H₁₀Mg₃O₁₄, and a molar mass of 451.12 g/mol.

The molecule contains 39 atoms connected by 34 chemical bonds. The full systematic IUPAC name of this compound is trimagnesium bis(2-hydroxypropane-1,2,3-tricarboxylate). 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 = 281 Ų, 2 donors and 14 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 formulaC₁₂H₁₀Mg₃O₁₄
Molar mass451.12 g/mol
IUPACtrimagnesium bis(2-hydroxypropane-1,2,3-tricarboxylate)
SMILESC(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Mg+2].[Mg+2].[Mg+2]
InChIKeyPLSARIKBYIPYPF-UHFFFAOYSA-H
logP (XLogP3)—
PSA281 Ų
HBD / HBA2 / 14
PubChem CIDCID 6099959 ↗
Scientific literature

Brak articles naukowych dla CAS 3344-18-1 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
Trimagnesium dicitrate · MAGNESIUM CITRATE · 3344-18-1 · Trimagnesium citrate · magnesium dicitrate · Citric acid, magnesium salt (2:3) · CITRAMAG · RHO26O1T9V · 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, magnesium salt (2:3) · NSC-83517 · CHEBI:131391 · CHEBI:131389 · Citroma · Gadavyt · Magcit
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/6099959
  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)
trimagnesium dicitrate (CAS 3344-18-1), C₁₂H₁₀Mg₃O₁₄ - 3D ball-and-stick molecular model, engraved element symbols (C H Mg O), MolGod STL previewDownload image

MG-STL-3344-18-1-ENGRAVED · 592,022 △ · 28 MB · SHA-256 adba5ab9f6fec2eb

Download 3D model · ENGRAVED · C H Mg O

trimagnesium dicitrate (CAS 3344-18-1), C₁₂H₁₀Mg₃O₁₄ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-3344-18-1-NORMAL · 16,320 △ · 797 KB · SHA-256 48a4fe6693495502

Download 3D model

Model
trimagnesium dicitrate · 3344-18-1
InChIKey
PLSARIKBYIPYPF-UHFFFAOYSA-H
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — trimagnesium dicitrate (CAS 3344-18-1)
License & provenance record
trimagnesium dicitrate (CAS 3344-18-1) →
MolGod molecule record
trimagnesium dicitrate →
Source data
PubChem CID 6099959 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
48a4fe6693495502fe7420147c217c2ed603b57d030797880f6ed3420abd48db
MD5 (STL)
359f3bdb0b1c2e0c0056219112463e89
Model identifier
MG-STL-3344-18-1
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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