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 widget above may be used for educational, research and commercial purposes.

Molecular formula	C7H11O9P
Masa molowa	270.13 g/mol
IUPAC	2-phosphonobutane-1,2,4-tricarboxylic acid
SMILES	C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O
InChIKey	SZHQPBJEOCHCKM-UHFFFAOYSA-N
logP (XLogP3)	-2.8
PSA	169 Ų
HBD / HBA	5 / 9
PubChem CID	CID 61973 ↗

Signal word: Danger

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

• 📊 PubChem CID 61973 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność