(3alpha,16alpha)-16-Fluoro-3,7-dihydroxyandrost-5-en-17-one

Base Information

• Chemical Name: (3alpha,16alpha)-16-Fluoro-3,7-dihydroxyandrost-5-en-17-one
• CAS No.: 515159-76-9
• Molecular Formula: C19H27FO3
• Molecular Weight: 322.4142832
• DSSTox Substance ID: DTXSID60437914
• Wikidata: Q82253518
• Mol file: 515159-76-9.mol

Synonyms:515159-76-9;(3alpha,16alpha)-16-Fluoro-3,7-dihydroxyandrost-5-en-17-one;SCHEMBL7190471;DTXSID60437914;Androst-5-en-17-one,16-fluoro-3,7-dihydroxy-,(3alpha,7beta,16alpha)-(9ci)

Chemical Property of (3alpha,16alpha)-16-Fluoro-3,7-dihydroxyandrost-5-en-17-one

Chemical Property:

• PSA: 57.53000
• LogP: 2.79800
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 322.19442288
• Heavy Atom Count: 23
• Complexity: 573

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1=CC(C3C2CCC4(C3CC(C4=O)F)C)O)O
• Isomeric SMILES: C[C@]12CC[C@H](CC1=C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)F)C)O)O

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