Estra-1,3,5(10)-triene-3,17-diol (17beta)-, hydrogen sulfate

Base Information

• Chemical Name: Estra-1,3,5(10)-triene-3,17-diol (17beta)-, hydrogen sulfate
• CAS No.: 28814-94-0
• Molecular Formula: C18H26O6S
• Molecular Weight: 352.44516
• European Community (EC) Number: 249-252-5
• DSSTox Substance ID: DTXSID80951460
• Mol file: 28814-94-0.mol

Synonyms:estradiol sulfate

Chemical Property of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, hydrogen sulfate

Chemical Property:

• Boiling Point: 445.9°Cat760mmHg
• Flash Point: 209.6°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 370.14500972
• Heavy Atom Count: 25
• Complexity: 463

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O.OS(=O)(=O)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.OS(=O)(=O)O