17-Hydroxy-21-[(methylsulfonyl)oxy]pregn-4-ene-3,20-dione

Base Information

• Chemical Name: 17-Hydroxy-21-[(methylsulfonyl)oxy]pregn-4-ene-3,20-dione
• CAS No.: 82427-84-7
• Molecular Formula: C₂₂H₃₂O₆S
• Molecular Weight: 424.558
• DSSTox Substance ID: DTXSID901195988
• Mol file: 82427-84-7.mol

Synonyms:82427-84-7;SCHEMBL2434178;17-Hydroxy-21-[(methylsulfonyl)oxy]pregn-4-ene-3,20-dione;DTXSID901195988;AKOS032430236

Chemical Property of 17-Hydroxy-21-[(methylsulfonyl)oxy]pregn-4-ene-3,20-dione

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 424.19195991
• Heavy Atom Count: 29
• Complexity: 870

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)COS(=O)(=O)C)O)C
• Isomeric SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)COS(=O)(=O)C)O)C