Sodium Citrate Dihydrate

CAS 6132-04-3  ·  C₆H₉Na₃O₉  ·  MW 294.10 g/mol

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3D model Sodium Citrate Dihydrate, CAS 6132-04-3, molecular formula C₆H₉Na₃O₉, molar mass 294.10 g/mol
About Sodium Citrate Dihydrate

Sodium Citrate Dihydrate is a chemical compound registered under number CAS 6132-04-3, with the molecular formula C₆H₉Na₃O₉, and a molar mass of 294.10 g/mol.

The molecule contains 27 atoms connected by 21 chemical bonds. The full systematic IUPAC name of this compound is trisodium;2-hydroxypropane-1,2,3-tricarboxylate;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 = 143 Ų, 3 donors and 9 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 formulaC₆H₉Na₃O₉
Molar mass294.10 g/mol
IUPACtrisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate
SMILESC(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]
InChIKeyNLJMYIDDQXHKNR-UHFFFAOYSA-K
logP (XLogP3)—
PSA143 Ų
HBD / HBA3 / 9
PubChem CIDCID 71474 ↗
Scientific literature

Related literature

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

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

Synonyms
Trisodium citrate dihydrate · Sodium citrate dihydrate · 6132-04-3 · Sodium citrate hydrate · B22547B95K · Citric acid, trisodium salt, dihydrate · Sodium citrate hydrous · Emetrol Chewables Orange · Nauzene · CHEBI:32142 · N-1560 · Natrii citras, dehydrate · Anticoagulant Sodium Citrate · Tricitrasol · Emetrol Powder
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 6 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/71474
  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 Citrate Dihydrate (CAS 6132-04-3), C₆H₉Na₃O₉ - 3D ball-and-stick molecular model, engraved element symbols (C H Na O), MolGod STL previewDownload image

MG-STL-6132-04-3-ENGRAVED · 430,262 △ · 21 MB · SHA-256 f37c8c2da0b2de3c

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Sodium Citrate Dihydrate (CAS 6132-04-3), C₆H₉Na₃O₉ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-6132-04-3-NORMAL · 10,944 △ · 534 KB · SHA-256 360cc75d048f598a

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Model
Sodium Citrate Dihydrate · 6132-04-3
InChIKey
NLJMYIDDQXHKNR-UHFFFAOYSA-K
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Sodium Citrate Dihydrate (CAS 6132-04-3)
License & provenance record
Sodium Citrate Dihydrate (CAS 6132-04-3) →
MolGod molecule record
Sodium Citrate Dihydrate →
Source data
PubChem CID 71474 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
360cc75d048f598a02e004a7cf8ed891fdb7dcfd0d4a5dfd8dc08fc04fde77bb
MD5 (STL)
a8788ddcbd8a7cc663ba9bcacc29fb76
Model identifier
MG-STL-6132-04-3
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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