Sodium D-gluconate

CAS 527-07-1  ·  C₆H₁₁NaO₇  ·  MW 218.14 g/mol

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3D model Sodium Gluconate, CAS 527-07-1, molecular formula C₆H₁₁NaO₇, molar mass 218.14 g/mol
About Sodium D-gluconate

Sodium D-gluconate is a chemical compound registered under number CAS 527-07-1, with the molecular formula C₆H₁₁NaO₇, and a molar mass of 218.14 g/mol.

The molecule contains 25 atoms connected by 24 chemical bonds. The full systematic IUPAC name of this compound is sodium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate. 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 = 141 Ų, 5 donors and 7 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 formulaC₆H₁₁NaO₇
Molar mass218.14 g/mol
IUPACsodium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
SMILESC([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Na+]
InChIKeyUPMFZISCCZSDND-JJKGCWMISA-M
logP (XLogP3)—
PSA141 Ų
HBD / HBA5 / 7
PubChem CIDCID 23672301 ↗
Scientific literature

Related literature

20 articles · 15 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (number of articles: 20)

2013: number of articles 120132015: number of articles 22016: number of articles 12018: number of articles 22022: number of articles 32023: number of articles 120232024: number of articles 12025: number of articles 62026: number of articles 22027: number of articles 12027

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 GLUCONATE · 527-07-1 · Sodium D-gluconate · gluconate sodium · D-Gluconic acid, monosodium salt · Monosodium gluconate · Glonsen · Pasexon 100T · Gluconato di sodio · D-Gluconic acid, sodium salt (1:1) · Bvd addicrete · Clewat gl · Helshas a · Natrum gluconicum · Sodium gluconate (USP)
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/23672301
  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 D-gluconate (CAS 527-07-1), C₆H₁₁NaO₇ - 3D ball-and-stick molecular model, engraved element symbols (C H Na O), MolGod STL previewDownload image

MG-STL-527-07-1-ENGRAVED · 338,504 △ · 16 MB · SHA-256 62cccf6661e2dd8d

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sodium D-gluconate (CAS 527-07-1), C₆H₁₁NaO₇ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
sodium D-gluconate · 527-07-1
InChIKey
UPMFZISCCZSDND-JJKGCWMISA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — sodium D-gluconate (CAS 527-07-1)
License & provenance record
sodium D-gluconate (CAS 527-07-1) →
MolGod molecule record
sodium D-gluconate →
Source data
PubChem CID 23672301 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
0ac8c01411a87b84379f0db88ef1b124e22fe50f2a62d54671fb7f589aedb15b
MD5 (STL)
82d306171cbf79adddf1385683e9e90b
Model identifier
MG-STL-527-07-1
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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