Tetrasodium dicarboxymethyl aspartate

CAS 34612-80-1  ·  C₈H₇NNa₄O₈  ·  MW 337.10 g/mol

Loading molecule...
3D model Tetrasodium dicarboxymethyl aspartate, CAS 34612-80-1, molecular formula C₈H₇NNa₄O₈, molar mass 337.10 g/mol
About Tetrasodium dicarboxymethyl aspartate

Tetrasodium dicarboxymethyl aspartate is a chemical compound registered under number CAS 34612-80-1, with the molecular formula C₈H₇NNa₄O₈, and a molar mass of 337.10 g/mol.

The molecule contains 28 atoms connected by 23 chemical bonds. The full systematic IUPAC name of this compound is tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate. 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 = 164 Ų, 0 donors and 9 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 formulaC₈H₇NNa₄O₈
Molar mass337.10 g/mol
IUPACtetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate
SMILESC([C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIKeyVWNRYDSLHLCGLG-NDNWHDOQSA-J
logP (XLogP3)—
PSA164 Ų
HBD / HBA0 / 9
PubChem CIDCID 71587123 ↗
Scientific literature

Brak articles naukowych dla CAS 34612-80-1 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
Tetrasodium dicarboxymethyl aspartate · Clewat Bi-ADS/ASDA-4Na · 5Z0O5Z0R6T · 34612-80-1 · UNII-5Z0O5Z0R6T · Tetrasodium N,N-bis(carboxymethyl)-L-aspartate · N,N-Bis(carboxymethyl)aspartic acid tetrasodium salt · L-Aspartic acid, N,N-bis(carboxymethyl)-, tetrasodium salt · L-Aspartic acid, N,N-bis(carboxymethyl)-, sodium salt (1:4) · RefChem:188880 · TETRASODIUM DICARBOXYMETHYL ASPARTATE [INCI] · L-ASPARTIC ACID, N,N-BIS(CARBOXYMETHYL),-TETRASODIUM SALT · L-Aspartic acid, N,N-bis(carboxymethyl),- tetrasodium salt · SCHEMBL381960 · VWNRYDSLHLCGLG-NDNWHDOQSA-J
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 5 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/71587123
  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)
Tetrasodium dicarboxymethyl aspartate (CAS 34612-80-1), C₈H₇NNa₄O₈ - 3D ball-and-stick molecular model, engraved element symbols (C H N Na O), MolGod STL previewDownload image

MG-STL-34612-80-1-ENGRAVED · 474,428 △ · 23 MB · SHA-256 02825f572e9ea13e

Download 3D model · ENGRAVED · C H N Na O

Tetrasodium dicarboxymethyl aspartate (CAS 34612-80-1), C₈H₇NNa₄O₈ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-34612-80-1-NORMAL · 11,552 △ · 564 KB · SHA-256 19ddfbf45b1a38f8

Download 3D model

Model
Tetrasodium dicarboxymethyl aspartate · 34612-80-1
InChIKey
VWNRYDSLHLCGLG-NDNWHDOQSA-J
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Tetrasodium dicarboxymethyl aspartate (CAS 34612-80-1)
License & provenance record
Tetrasodium dicarboxymethyl aspartate (CAS 34612-80-1) →
MolGod molecule record
Tetrasodium dicarboxymethyl aspartate →
Source data
PubChem CID 71587123 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
19ddfbf45b1a38f86efe9d113ac8a58b9b4aded3b7caf9d46cf15a5102ff3b98
MD5 (STL)
fda22876290d81aa33b4b815f810c828
Model identifier
MG-STL-34612-80-1
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.

—