Hexasodium hexametaphosphate

CAS 10124-56-8  ·  Na₆O₁₈P₆  ·  MW 611.77 g/mol

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3D model Hexasodium hexametaphosphate, CAS 10124-56-8, molecular formula Na₆O₁₈P₆, molar mass 611.77 g/mol

Model views

  • Hexasodium hexametaphosphate (CAS 10124-56-8) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Hexasodium hexametaphosphate (CAS 10124-56-8) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Hexasodium hexametaphosphate (CAS 10124-56-8) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Hexasodium hexametaphosphate (CAS 10124-56-8) – 2D structure, MolGod Viewer
    2D structure

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About Hexasodium hexametaphosphate

Hexasodium hexametaphosphate is a chemical compound registered under number CAS 10124-56-8, with the molecular formula Na₆O₁₈P₆, and a molar mass of 611.77 g/mol.

The molecule contains 30 atoms connected by 24 chemical bonds. The full systematic IUPAC name of this compound is hexasodium;2,4,6,8,10,12-hexaoxido-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide. 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 = 296 Ų, 0 donors and 18 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaNa₆O₁₈P₆
Molar mass611.77 g/mol
IUPAChexasodium;2,4,6,8,10,12-hexaoxido-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide
SMILES[O-]P1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIKeyGCLGEJMYGQKIIW-UHFFFAOYSA-H
logP (XLogP3)—
PSA296 Ų
HBD / HBA0 / 18
PubChem CIDCID 24968 ↗
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
Hexasodium hexametaphosphate · Chemi-charl · Calgon S · Calgon (old) · Caswell No. 772 · Hexasodium metaphosphate · Phosphate, sodium hexameta · FEMA 3027 · HSDB 5053 · Natrium hexametaphosphat · N40N91DW96 · EINECS 233-343-1 · Sodium hexametaphosphate (Na6P6O18) · EPA Pesticide Chemical Code 076402 · UNII-N40N91DW96
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 7 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.

6 stereo element(s) undefined in the source record (6 stereocentre(s), 0 double-bond E/Z) were assigned arbitrarily; the model shows one stereoisomer only, which may not be the naturally occurring or commercial form.

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/24968
  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)

MG-STL-10124-56-8-ENGRAVED

Hexasodium hexametaphosphate (CAS 10124-56-8), Na₆O₁₈P₆ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-10124-56-8-NORMAL · 12,480 △ · 609 KB · SHA-256 c952b31816268945

Download 3D model

Model
Hexasodium hexametaphosphate · 10124-56-8
InChIKey
GCLGEJMYGQKIIW-UHFFFAOYSA-H
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Hexasodium hexametaphosphate (CAS 10124-56-8)
License & provenance record
Hexasodium hexametaphosphate (CAS 10124-56-8) →
MolGod molecule record
Hexasodium hexametaphosphate →
Source data
PubChem CID 24968 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
c952b31816268945847a78e4d730c6f23b30b36d4d40f1cd270d24decb7bf74e
MD5 (STL)
14f7006b020496e5ee1bb25ebd5f85a3
Model identifier
MG-STL-10124-56-8
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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