2-Phosphonobutane-1,2,4-tricarboxylic acid

CAS 37971-36-1  ·  C7H11O9P  ·  MW 270.13 g/mol

Full record: 2-Phosphonobutane-1,2,4-tricarboxylic acid — Safety Data Sheet →

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3D model 2-Phosphonobutane-1,2,4-tricarboxylic acid, CAS 37971-36-1, molecular formula C7H11O9P, molar mass 270.13 g/mol

Model views

  • 2-Phosphonobutane-1,2,4-tricarboxylic acid (CAS 37971-36-1) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 2-Phosphonobutane-1,2,4-tricarboxylic acid (CAS 37971-36-1) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 2-Phosphonobutane-1,2,4-tricarboxylic acid (CAS 37971-36-1) – 2D structure, MolGod Viewer
    2D structure

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About 2-Phosphonobutane-1,2,4-tricarboxylic acid

2-Phosphonobutane-1,2,4-tricarboxylic acid is a chemical compound registered under number CAS 37971-36-1, with the molecular formula C7H11O9P, and a molar mass of 270.13 g/mol.

The molecule contains 28 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is 2-phosphonobutane-1,2,4-tricarboxylic acid. 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, the partition coefficient logP = -2.8 (negative value, a hydrophilic compound), polar surface area PSA = 169 Ų, 5 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC7H11O9P
Molar mass270.13 g/mol
IUPAC2-phosphonobutane-1,2,4-tricarboxylic acid
SMILESC(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O
InChIKeySZHQPBJEOCHCKM-UHFFFAOYSA-N
logP (XLogP3)-2.8
PSA169 Ų
HBD / HBA5 / 9
PubChem CIDCID 61973 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07

H290 — May be corrosive to metals

H314 — Causes severe skin burns and eye damage

H319 — Causes serious eye irritation

Scientific literature

Related literature

18 articles · 6 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (number of articles: 18)

1994: number of articles 119941999: number of articles 12001: number of articles 12005: number of articles 12014: number of articles 12016: number of articles 120162019: number of articles 32020: number of articles 32021: number of articles 42025: number of articles 12026: number of articles 12026

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
37971-36-1 · 2-PHOSPHONOBUTANE-1,2,4-TRICARBOXYLIC ACID · 2-Phosphono-1,2,4-butanetricarboxylic acid · 1,2,4-Butanetricarboxylic acid, 2-phosphono- · phosphonobutanetricarboxylic acid · BAYHIBIT AM · 306P37319L · PBTA · PBTC tricarboxylic acid · RefChem:478251 · DTXCID807999 · 253-733-5 · MFCD01940753 · PBTC · C7H11O9P
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
2-Phosphonobutane-1,2,4-tricarboxylic acid · 37971-36-1
InChIKey
SZHQPBJEOCHCKM-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 2-Phosphonobutane-1,2,4-tricarboxylic acid (CAS 37971-36-1)
License & provenance record
2-Phosphonobutane-1,2,4-tricarboxylic acid (CAS 37971-36-1) →
MolGod molecule record
2-Phosphonobutane-1,2,4-tricarboxylic acid →
Source data
PubChem CID 61973 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
f46eb23ba73de3f21368407ca701b310de4d0ddecb10cdf4252b6bc31db2bf18
MD5 (STL)
b165b76b0669ee829f0df33c6753d93e
MolGod Identification Number
MG_336-404-056-83
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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