Sodium Phosphate, Dibasic

CAS 7558-79-4  ·  HNa₂O₄P  ·  MW 141.959 g/mol

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3D model Sodium Phosphate, Dibasic, CAS 7558-79-4, molecular formula HNa₂O₄P, molar mass 141.959 g/mol
About Sodium Phosphate, Dibasic

Sodium Phosphate, Dibasic is a chemical compound registered under number CAS 7558-79-4, with the molecular formula HNa₂O₄P, and a molar mass of 141.959 g/mol.

The molecule contains 8 atoms connected by 5 chemical bonds. The full systematic IUPAC name of this compound is disodium;hydrogen phosphate. 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 = 83.4 Ų, 1 donors and 4 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 formulaHNa₂O₄P
Molar mass141.959 g/mol
IUPACdisodium;hydrogen phosphate
SMILESOP(=O)([O-])[O-].[Na+].[Na+]
InChIKeyBNIILDVGGAEEIG-UHFFFAOYSA-L
logP (XLogP3)—
PSA83.4 Ų
HBD / HBA1 / 4
PubChem CIDCID 24203 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
Scientific literature

Related literature

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

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📈 Publication timeline (number of articles: 2)

2004: number of articles 120042012: number of articles 12012

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
7558-79-4 · Sodium phosphate dibasic · DISODIUM PHOSPHATE · Disodium hydrogen phosphate · Disodium hydrogenorthophosphate · Acetest · Sodium phosphate, dibasic · Dibasic sodium phosphate · Disodium acid phosphate · Soda phosphate · Exsiccated sodium phosphate · disodium hydrogenphosphate · Disodium orthophosphate · Phosphoric acid, disodium salt · Sodium hydrogen phosphate
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 3 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/24203
  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 Phosphate, Dibasic (CAS 7558-79-4), HNa₂O₄P - 3D ball-and-stick molecular model, engraved element symbols (H Na O P), MolGod STL previewDownload image

MG-STL-7558-79-4-ENGRAVED · 164,930 △ · 8 MB · SHA-256 1347c6b2e7aea0dc

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Sodium Phosphate, Dibasic (CAS 7558-79-4), HNa₂O₄P - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-7558-79-4-NORMAL · 3,136 △ · 153 KB · SHA-256 638570120ef34d8e

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Model
Sodium Phosphate, Dibasic · 7558-79-4
InChIKey
BNIILDVGGAEEIG-UHFFFAOYSA-L
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Sodium Phosphate, Dibasic (CAS 7558-79-4)
License & provenance record
Sodium Phosphate, Dibasic (CAS 7558-79-4) →
MolGod molecule record
Sodium Phosphate, Dibasic →
Source data
PubChem CID 24203 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
638570120ef34d8e9ae4cecdd474869b6d22b62aff508912b9343975d077af79
MD5 (STL)
b63c06e7197be00b6607826499ca7ce8
Model identifier
MG-STL-7558-79-4
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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