Punaglandin 1

Base Information

• Chemical Name: Punaglandin 1
• CAS No.: 96055-63-9
• Molecular Formula: C27H37ClO10
• Molecular Weight: 557.0297
• Nikkaji Number: J625.045I
• Wikidata: Q76293851

Synonyms:punaglandin 1;(+)-Punaglandin 1;96055-63-9;methyl 5S,6R,7R-triacetoxy-9-oxo-10-chloro-12S-hydroxy-10Z,14Z,17Z-prostatrienoate-cyclo[8R,12S];CHEBI:185892;LMFA03120027;methyl (5S,6R,7R)-5,6,7-triacetyloxy-7-[(1R,2S)-4-chloro-2-hydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]-5-oxocyclopent-3-en-1-yl]heptanoate

Chemical Property of Punaglandin 1

Chemical Property:

• Vapor Pressure: 2.24E-17mmHg at 25°C
• Boiling Point: 609°Cat760mmHg
• Flash Point: 322.1°C
• Density: 1.23g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 19
• Exact Mass: 556.2075251
• Heavy Atom Count: 38
• Complexity: 954

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MSDS Files:

Useful:

• Canonical SMILES: CCC=CCC=CCC1(C=C(C(=O)C1C(C(C(CCCC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)Cl)O
• Isomeric SMILES: CC/C=C\C/C=C\C[C@]1(C=C(C(=O)[C@@H]1[C@H]([C@@H]([C@H](CCCC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)Cl)O

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