Sodium Phosphate, Monobasic, Monohydrate

CAS 10049-21-5  ·  H₄NaO₅P  ·  MW 137.99 g/mol

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3D model Sodium Phosphate, Monobasic, Monohydrate, CAS 10049-21-5, molecular formula H₄NaO₅P, molar mass 137.99 g/mol

Model views

  • Sodium Phosphate, Monobasic, Monohydrate (CAS 10049-21-5) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Sodium Phosphate, Monobasic, Monohydrate (CAS 10049-21-5) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Sodium Phosphate, Monobasic, Monohydrate (CAS 10049-21-5) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Sodium Phosphate, Monobasic, Monohydrate (CAS 10049-21-5) – 2D structure, MolGod Viewer
    2D structure

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About Sodium Phosphate, Monobasic, Monohydrate

Sodium Phosphate, Monobasic, Monohydrate is a chemical compound registered under number CAS 10049-21-5, with the molecular formula H₄NaO₅P, and a molar mass of 137.99 g/mol.

The molecule contains 11 atoms connected by 9 chemical bonds. The full systematic IUPAC name of this compound is sodium;dihydrogen phosphate;hydrate. 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 = 81.6 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 formulaH₄NaO₅P
Molar mass137.99 g/mol
IUPACsodium;dihydrogen phosphate;hydrate
SMILESO.OP(=O)(O)[O-].[Na+]
InChIKeyBBMHARZCALWXSL-UHFFFAOYSA-M
logP (XLogP3)—
PSA81.6 Ų
HBD / HBA3 / 5
PubChem CIDCID 516949 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
Scientific literature

Related literature

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

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 16)

2001: number of articles 120012007: number of articles 12015: number of articles 120152017: number of articles 42017

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 phosphate monobasic monohydrate · Sodium dihydrogen phosphate monohydrate · Monosodium phosphate monohydrate · Sodium phosphate monohydrate · Phosphoric acid, monosodium salt, monohydrate · SODIUM PHOSPHATE, MONOBASIC, MONOHYDRATE · sodium dihydrogenphosphate monohydrate · 593YOG76RN · CHEBI:114249 · sodium dihydrogen phosphate--water (1/1) · MONOBASIC SODIUM PHOSPHATE MONOHYDRATE · MONOBASIC SODIUM PHOSPHATE, MONOHYDRATE · SODIUM PHOSPHATE MONOBASIC, MONOHYDRATE · SODIUM PHOSPHATE MONOBASIC (MONOHYDRATE) · SODIUM PHOSPHATE, MONOBASIC MONOHYDRATE [MI]
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/516949
  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, Monohydrate (CAS 10049-21-5), H₄NaO₅P - 3D ball-and-stick molecular model, engraved element symbols (H Na O P), MolGod STL previewDownload image

MG-STL-10049-21-5-ENGRAVED · 171,014 △ · 8 MB · SHA-256 575d2406ad5e898c

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Sodium Phosphate, Monobasic, Monohydrate (CAS 10049-21-5), H₄NaO₅P - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
Sodium Phosphate, Monobasic, Monohydrate · 10049-21-5
InChIKey
BBMHARZCALWXSL-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Sodium Phosphate, Monobasic, Monohydrate (CAS 10049-21-5)
License & provenance record
Sodium Phosphate, Monobasic, Monohydrate (CAS 10049-21-5) →
MolGod molecule record
Sodium Phosphate, Monobasic, Monohydrate →
Source data
PubChem CID 516949 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
e58b981b48d99d107eab4916ad0e4566dd70bec702971c70f315f3d4cb07efc0
MD5 (STL)
283ad8b14cb78333a7be7b882ee61d78
Model identifier
MG-STL-10049-21-5
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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