Sodium deuteroxide

CAS 14014-06-3  ·  NaOD  ·  MW 41.003 g/mol

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3D model Sodium deuteroxide, CAS 14014-06-3, molecular formula NaOD, molar mass 41.003 g/mol

Model views

  • Sodium deuteroxide (CAS 14014-06-3) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Sodium deuteroxide (CAS 14014-06-3) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Sodium deuteroxide (CAS 14014-06-3) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Sodium deuteroxide (CAS 14014-06-3) – 2D structure, MolGod Viewer
    2D structure

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About Sodium deuteroxide

Sodium deuteroxide is a chemical compound registered under number CAS 14014-06-3, with the molecular formula NaOD, and a molar mass of 41.003 g/mol.

The molecule contains 3 atoms connected by 2 chemical bonds. 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 = 1 Ų, 1 donors and 1 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 formulaNaOD
Molar mass41.003 g/mol
IUPAC—
SMILES[2H][O-].[Na+]
InChIKeyHEMHJVSKTPXQMS-DYCDLGHISA-M
logP (XLogP3)—
PSA1 Ų
HBD / HBA1 / 1
PubChem CIDCID 23676750 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
Scientific literature

Related literature

15 articles · 4 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 15)

1936: number of articles 119361959: number of articles 11967: number of articles 11968: number of articles 11971: number of articles 11975: number of articles 11978: number of articles 119781979: number of articles 11983: number of articles 11996: number of articles 12006: number of articles 12016: number of articles 32016

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 deuteroxide · 14014-06-3 · UN1824 · Sodium hydroxided · EINECS 237-825-2 · RefChem:887471 · DTXCID201359438 · 237-825-2 · MFCD00037669 · Sodium hydroxide (Na(OD)) (6CI,7CI,8CI,9CI) · Sodium Deuteroxide (40% w/w in D2O) · DNaO · Sodium deuteroxide, 40 wt% in Deuterium oxide · Sodium deutoroxide · NaOD
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/23676750
  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 deuteroxide (CAS 14014-06-3), NaOD - 3D ball-and-stick molecular model, engraved element symbols (Na O D), MolGod STL previewDownload image

MG-STL-14014-06-3-ENGRAVED · 61,124 △ · 3 MB · SHA-256 5d355c7180dd1e67

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Sodium deuteroxide (CAS 14014-06-3), NaOD - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-14014-06-3-NORMAL · 1,056 △ · 52 KB · SHA-256 d96099dcf9ee10ea

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Model
Sodium deuteroxide · 14014-06-3
InChIKey
HEMHJVSKTPXQMS-DYCDLGHISA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Sodium deuteroxide (CAS 14014-06-3)
License & provenance record
Sodium deuteroxide (CAS 14014-06-3) →
MolGod molecule record
Sodium deuteroxide →
Source data
PubChem CID 23676750 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
d96099dcf9ee10ea5c0e814a56df41cabbdaf704a79210b7ba00f1f5086b3dd2
MD5 (STL)
32b5c229eae91ab549ae485962897fa3
Model identifier
MG-STL-14014-06-3
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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