D-Pyroglutamic acid

• CAS: 4042-36-8
• Catalog Number: ACM4042368
• Category: Other Products
• Molecular Weight: 129.11
• Molecular Formula: C5H7NO3
• Synonyms: 5-Oxo-D-prolin
• IUPAC Name: (2R)-5-Oxopyrrolidine-2-carboxylic acid
• Canonical SMILES: C1CC(=O)NC1C(=O)O
• InChI: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1
• InChI Key: ODHCTXKNWHHXJC-GSVOUGTGSA-N
• Boiling Point: 239.15 °C
• Melting Point: 155-162 °C
• Flash Point: 227.8 °C
• Density: 1.3816 g/cm³
• Solubility: Soluble in water
• Appearance: Solid
• Storage: Sealed in dry, room temperature
• Complexity: 154
• Exact Mass: 129.042593085
• Hazard Statements: Xi
• Isomeric SMILES: C1CC(=O)N[C@H]1C(=O)O
• Monoisotopic Mass: 129.042593085
• pKa: 3.48±0.20(Predicted)
• Refractive Index: 10 ° (C=5, H₂O)
• Safety Description: 26-36-37/39
• Solubility In Water: Soluble
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• Topological Polar Surface Area: 66.4 Ų

Custom Q&A

What is the molecular formula of D-Pyroglutamic acid according to PubChem?

The molecular formula of D-Pyroglutamic acid is C5H7NO3.

What is the molecular weight of D-Pyroglutamic acid?

The molecular weight of D-Pyroglutamic acid is 129.11 g/mol.

What is the IUPAC name of D-Pyroglutamic acid?

The IUPAC name of D-Pyroglutamic acid is (2R)-5-oxopyrrolidine-2-carboxylic acid.

What are the synonyms for D-Pyroglutamic acid?

Some synonyms for D-Pyroglutamic acid include 5-oxo-D-proline, (R)-5-Oxopyrrolidine-2-carboxylic Acid, and D-Pyr-OH.

What is the Canonical SMILES representation of D-Pyroglutamic acid?

The Canonical SMILES representation of D-Pyroglutamic acid is C1CC(=O)NC1C(=O)O.

What is the InChIKey for D-Pyroglutamic acid?

The InChIKey for D-Pyroglutamic acid is ODHCTXKNWHHXJC-GSVOUGTGSA-N.

What is the CAS number for D-Pyroglutamic acid?

The CAS number for D-Pyroglutamic acid is 4042-36-8.

What is the European Community (EC) Number for D-Pyroglutamic acid?

The European Community (EC) Number for D-Pyroglutamic acid is 223-735-0.

What is the XLogP3-AA value for D-Pyroglutamic acid?

The XLogP3-AA value for D-Pyroglutamic acid is -0.8.

Where is D-Pyroglutamic acid naturally found?

D-Pyroglutamic acid is a natural product found in Ascochyta medicaginicola, Spinacia oleracea, and other organisms with data available.

Synthetic Use

Upstream Synthesis Route 1

• 66673-40-3

• 4042-36-8

Reference: [1] Chemical & Pharmaceutical Bulletin, 1980, vol. 28, # 5, p. 1449 - 1458

Upstream Synthesis Route 2

• 6893-26-1

• 4042-36-8

Reference: [1] Helvetica Chimica Acta, 1990, vol. 73, # 1, p. 122 - 132
[2] Journal of Organic Chemistry, 2001, vol. 66, # 21, p. 7078 - 7083
[3] Archives of Biochemistry and Biophysics, 2018, vol. 654, p. 10 - 18

Upstream Synthesis Route 3

• 307304-62-7

• 4042-36-8

Reference: [1] Journal of Organic Chemistry, 2000, vol. 65, # 22, p. 7310 - 7322

Upstream Synthesis Route 4

• 6893-26-1

• 4042-36-8

Reference: [1]Helvetica Chimica Acta,1990,vol. 73,p. 122 - 132
[2]Journal of Organic Chemistry,2001,vol. 66,p. 7078 - 7083
[3]Archives of Biochemistry and Biophysics,2018,vol. 654,p. 10 - 18
[4]Bioorganic and Medicinal Chemistry Letters,2019,vol. 29,p. 1968 - 1973

Upstream Synthesis Route 5

• 66673-40-3

• 4042-36-8

Reference: [1]Chemical and pharmaceutical bulletin,1980,vol. 28,p. 1449 - 1458

Downstream Synthesis Route 1

• 67-56-1
• 4042-36-8

• 64700-65-8

Reference: [1]Journal of Organic Chemistry,2001,vol. 66,p. 7078 - 7083

* For details of the synthesis route, please refer to the original source to ensure accuracy.