Sodium Phosphate, Monobasic, Dihydrate

CAS 13472-35-0  ·  H₆NaO₆P  ·  MW 156.01 g/mol

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3D model Sodium Phosphate, Monobasic, Dihydrate, CAS 13472-35-0, molecular formula H₆NaO₆P, molar mass 156.01 g/mol

Model views

  • Sodium Phosphate, Monobasic, Dihydrate (CAS 13472-35-0) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Sodium Phosphate, Monobasic, Dihydrate (CAS 13472-35-0) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Sodium Phosphate, Monobasic, Dihydrate (CAS 13472-35-0) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Sodium Phosphate, Monobasic, Dihydrate (CAS 13472-35-0) – 2D structure, MolGod Viewer
    2D structure

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About Sodium Phosphate, Monobasic, Dihydrate

Sodium Phosphate, Monobasic, Dihydrate is a chemical compound registered under number CAS 13472-35-0, with the molecular formula H₆NaO₆P, and a molar mass of 156.01 g/mol.

The molecule contains 14 atoms connected by 11 chemical bonds. The full systematic IUPAC name of this compound is sodium;dihydrogen phosphate;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 = 82.6 Ų, 4 donors and 6 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 formulaH₆NaO₆P
Molar mass156.01 g/mol
IUPACsodium;dihydrogen phosphate;dihydrate
SMILESO.O.OP(=O)(O)[O-].[Na+]
InChIKeyVBJGJHBYWREJQD-UHFFFAOYSA-M
logP (XLogP3)—
PSA82.6 Ų
HBD / HBA4 / 6
PubChem CIDCID 23673460 ↗
Scientific literature

Related literature

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

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📈 Publication timeline (number of articles: 13)

2007: number of articles 120072015: number of articles 120152017: number of articles 22017

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
13472-35-0 · Sodium dihydrogen phosphate dihydrate · Sodium phosphate monobasic dihydrate · Monosodium phosphate dihydrate · Sodium phosphate, monobasic, dihydrate · Phosphoric acid, monosodium salt, dihydrate · Sodium phosphate dihydrate · Monosodium dihydrogen phosphate dihydrate · Sodium phosphate (NaH2PO4) dihydrate · UNII-5QWK665956 · 5QWK665956 · Sodium Dihydrogen Orthophosphate dihydrate · MONOBASIC SODIUM PHOSPHATE DIHYDRATE · MONOBASIC SODIUM PHOSPHATE, DIHYDRATE · SODIUM PHOSPHATE MONOBASIC (DIHYDRATE)
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 4 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/23673460
  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, Monobasic, Dihydrate (CAS 13472-35-0), H₆NaO₆P - 3D ball-and-stick molecular model, engraved element symbols (H Na O P), MolGod STL previewDownload image

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Sodium Phosphate, Monobasic, Dihydrate (CAS 13472-35-0), H₆NaO₆P - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
Sodium Phosphate, Monobasic, Dihydrate · 13472-35-0
InChIKey
VBJGJHBYWREJQD-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Sodium Phosphate, Monobasic, Dihydrate (CAS 13472-35-0)
License & provenance record
Sodium Phosphate, Monobasic, Dihydrate (CAS 13472-35-0) →
MolGod molecule record
Sodium Phosphate, Monobasic, Dihydrate →
Source data
PubChem CID 23673460 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
983d22d7ffc405e9674cf8f0505064d31f5d7a862bf43e4fe4ff950bf02bf504
MD5 (STL)
044ed61a34dcc0e2652c0d86c6598d03
Model identifier
MG-STL-13472-35-0
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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