Alfaprostolum

Base Information

• Chemical Name: Alfaprostolum
• CAS No.: 74176-31-1
• Molecular Formula: C24H38O5
• Molecular Weight: 406.56
• European Community (EC) Number: 277-746-0
• UNII: 4XKL2JJ08I
• Wikipedia: Alfaprostol
• Wikidata: Q76393573
• NCI Thesaurus Code: C74371
• ChEMBL ID: CHEMBL2104662
• Mol file: 74176-31-1.mol

Synonyms:alfaprostol;K-11941

Chemical Property of Alfaprostolum

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.542
• Boiling Point: 573.8 °C at 760 mmHg
• PKA: 13.01±0.20(Predicted)
• Flash Point: 189 °C
• PSA: 86.99000
• Density: 1.12 g/cm³
• LogP: 3.35870
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 406.27192431
• Heavy Atom Count: 29
• Complexity: 581

Purity/Quality:

98%Min ^*data from raw suppliers

Alfaprostol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCC=CCC1C(CC(C1C#CC(CCC2CCCCC2)O)O)O
• Isomeric SMILES: COC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1C#C[C@H](CCC2CCCCC2)O)O)O
• Uses: Prostaglandin (veterinary).

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