PBTCA·Na4 2-膦酸丁烷-1，2，4 (CAS 40372-66-5)

1,2,4-Butanetricarboxylic acid, 2-phosphono-, sodium salt (1:?)

CAS 40372-66-5  ·  C7H11O9P  ·  MW 270.13 g/mol

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3D model 1,2,4-Butanetricarboxylic acid, 2-phosphono-, sodium salt (1:?), CAS 40372-66-5, molecular formula C7H11O9P, molar mass 270.13 g/mol
About PBTCA·Na4 2-膦酸丁烷-1，2，4 (CAS 40372-66-5)

PBTCA·Na4 2-膦酸丁烷-1，2，4 (CAS 40372-66-5) is a chemical compound registered under number CAS 40372-66-5, 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 (2S)-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.

Physicochemical properties
Wzór sumarycznyC7H11O9P
Masa molowa270.13 g/mol
IUPAC(2S)-2-phosphonobutane-1,2,4-tricarboxylic acid
SMILESC(C[C@](CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O
InChIKeySZHQPBJEOCHCKM-ZETCQYMHSA-N
logP (XLogP3)-2.8
PSA169 Ų
HBD / HBA5 / 9
PubChem CIDCID 29920088 ↗
GHS safety

Sygnał: Uwaga

GHS07
GHS07
Scientific literature

Related literature

20 artykułów · 13 open access · Źródła: PubMed, OpenAlex, Semantic Scholar

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
1,2,4-Butanetricarboxylic acid, 2-phosphono-, sodium salt · 2-Phosphonobutane-1,2,4-tricarboxylic acid, sodium salt · 1,2,4-Butanetricarboxylic acid, 2-phosphono-, sodium salt (1:?) · RefChem:71514 · 254-894-4 · 40372-66-5 · EINECS 254-894-4 · (2S)-2-PHOSPHONOBUTANE-1,2,4-TRICARBOXYLIC ACID
Data sources
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