15-Keto-13,14-dihydroprostaglandin A2

Base Information

• Chemical Name: 15-Keto-13,14-dihydroprostaglandin A2
• CAS No.: 74872-89-2
• Molecular Formula: C20H30O4
• Molecular Weight: 334.45
• European Community (EC) Number: 633-298-1
• DSSTox Substance ID: DTXSID00868324
• Nikkaji Number: J428.387B
• Wikidata: Q27161501
• Metabolomics Workbench ID: 2399
• Mol file: 74872-89-2.mol

Synonyms:15-keto-13,14-dihydro-PGA2;15-keto-13,14-dihydroprostaglandin A2

Chemical Property of 15-Keto-13,14-dihydroprostaglandin A2

Chemical Property:

• Vapor Pressure: 8.47E-12mmHg at 25°C
• Refractive Index: 1.498
• Boiling Point: 510.5 °C at 760 mmHg
• PKA: 4.75±0.10(Predicted)
• Flash Point: 276.6 °C
• PSA: 71.44000
• Density: 1.043 g/cm³
• LogP: 4.48850
• Storage Temp.: ?20°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 334.21440943
• Heavy Atom Count: 24
• Complexity: 476

Purity/Quality:

99% ^*data from raw suppliers

13,14-dihydro-15-keto Prostaglandin A2 ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)CCC1C=CC(=O)C1CC=CCCCC(=O)O
• Isomeric SMILES: CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O