CAS No.: 173039-10-6 — 2-(Phosphonomethyl)pentanedioic acid (2-PMPA)

1. Primary Information

English name:	2-(Phosphonomethyl)pentanedioic acid
CAS No.:	173039-10-6
Molecular formula:	C₆H₁₁O₇P
Molecular weight:	226.12 g/mol
SMILES:	C(CC(=O)O)C(CP(=O)(O)O)C(=O)O
Structural class:
Other identifiers:	2-(phosphonomethyl)pentanedioic acid 2-PMPA cpd

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	98%	428	RT	in stock	-
Kehua Intelligence	10mg	98%	768	RT	in stock	-
Kehua Intelligence	25mg	98%	1536	RT	in stock	-
Kehua Intelligence	100mg	98%	4352	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 24 0 1 0 0 0 0 0999 V2000 2.9639 0.5026 -0.0818 P 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 1.6620 0.5835 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9462 0.8731 -1.6479 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -2.1613 -0.8272 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3367 -0.8962 0.2599 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -1.7611 1.3939 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7125 -0.1997 -0.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8916 1.3403 0.7518 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1791 0.1024 -0.1693 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2928 0.9549 0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 0.6235 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3679 -0.1265 -0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3825 -1.3477 0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 0.4336 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2654 0.1611 -1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2635 0.8896 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1367 2.0078 0.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3234 0.5588 1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2845 1.6890 -0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3525 -1.1812 -0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2651 -0.0609 -1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 1.6382 0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7444 0.6973 -2.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7033 -3.0966 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5947 0.1567 -0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 4 13 1 0 0 0 0 4 24 1 0 0 0 0 6 13 2 0 0 0 0 7 14 1 0 0 0 0 7 25 1 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-(phosphonomethyl)pentanedioic acid

4.2 InChI

InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)