Ammonium dihydrogen phosphate

CAS 7722-76-1  ·  H₆NO₄P  ·  MW 115.03 g/mol

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3D model Ammonium dihydrogen phosphate, CAS 7722-76-1, molecular formula H₆NO₄P, molar mass 115.03 g/mol
About Ammonium dihydrogen phosphate

Ammonium dihydrogen phosphate is a chemical compound registered under number CAS 7722-76-1, with the molecular formula H₆NO₄P, and a molar mass of 115.03 g/mol.

The molecule contains 12 atoms connected by 10 chemical bonds. The full systematic IUPAC name of this compound is azanium dihydrogen 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 = 81.6 Ų, 3 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 formulaH₆NO₄P
Molar mass115.03 g/mol
IUPACazanium dihydrogen phosphate
SMILES[NH4+].OP(=O)(O)[O-]
InChIKeyLFVGISIMTYGQHF-UHFFFAOYSA-N
logP (XLogP3)—
PSA81.6 Ų
HBD / HBA3 / 4
PubChem CIDCID 24402 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
Scientific literature

Related literature

1 articles · 1 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
Ammonium dihydrogen phosphate · 7722-76-1 · Ammonium biphosphate · MONOAMMONIUM PHOSPHATE · Ammonium dihydrogen orthophosphate · Phosphoric acid, monoammonium salt · Ammonium monophosphate · Ammonium dihydrophosphate · Primary ammonium phosphate · Monobasic ammonium phosphate · Ammonium phosphate, monobasic · Ammonium diacid phosphate · Monoammonium orthophosphate · Monoammonium acid phosphate · Ammonium monobasic 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 2 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/24402
  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)
Ammonium dihydrogen phosphate (CAS 7722-76-1), H₆NO₄P - 3D ball-and-stick molecular model, engraved element symbols (H N O P), MolGod STL previewDownload image

MG-STL-7722-76-1-ENGRAVED · 152,080 △ · 7 MB · SHA-256 81053a60989146df

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Ammonium dihydrogen phosphate (CAS 7722-76-1), H₆NO₄P - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
Ammonium dihydrogen phosphate · 7722-76-1
InChIKey
LFVGISIMTYGQHF-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Ammonium dihydrogen phosphate (CAS 7722-76-1)
License & provenance record
Ammonium dihydrogen phosphate (CAS 7722-76-1) →
MolGod molecule record
Ammonium dihydrogen phosphate →
Source data
PubChem CID 24402 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
37a2c169435791ece4958c062a0d99a658b2004879ff93abcf7ed43ed0af11fa
MD5 (STL)
7951469cfc7b775b63a5e4625e169a36
Model identifier
MG-STL-7722-76-1
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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