Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Northwest A&F University Shenzhen Research Institute    Joint Development

1. Primary Information

English name: Tris(2-carboxyethyl)phosphine hydrochloride
CAS No.: 51805-45-9
Molecular formula: C9H16ClO6P
Molecular weight: 286.64 g/mol
SMILES: C(CP(CCC(=O)O)CCC(=O)O)C(=O)O.Cl
Structural class:
Other identifiers:

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2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Purchase Storage conditions Lead time Notes
Kehua Intelligence 1000g ≥98%(HPLC) 1999 Buy now 2-8℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;hydrochloride


4.2 InChI

InChI=1S/C9H15O6P.ClH/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15;/h1-6H2,(H,10,11)(H,12,13)(H,14,15);1H


4.3 InChIKey

PBVAJRFEEOIAGW-UHFFFAOYSA-N


4.4 Canonical SMILES

C(CP(CCC(=O)O)CCC(=O)O)C(=O)O.Cl


4.5 Isomeric SMILES

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4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon
-- No 3D model data available --