17-Hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfate

Base Information

• Chemical Name: 17-Hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfate
• CAS No.: 6693-10-3
• Molecular Formula: C18H24O5S
• Molecular Weight: 352.4452
• DSSTox Substance ID: DTXSID00274320
• ChEMBL ID: CHEMBL1160043
• Mol file: 6693-10-3.mol

Synonyms:17-hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfate;ESTRADIOL 3-SULFATE;Estradiol 17 sulfate;CHEMBL1160043;DTXSID00274320;(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) hydrogen sulfate

Chemical Property of 17-Hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfate

Chemical Property:

• Melting Point: 60.5 °C
• Boiling Point: 306.4±37.0 °C(Predicted)
• PKA: -6.28±0.39(Predicted)
• PSA: 92.21000
• Density: 1.354g/cm³
• LogP: 4.16600
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 352.13444504
• Heavy Atom Count: 24
• Complexity: 585

Purity/Quality:

4,5,6-Trichloro-2-(methylthio)pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OS(=O)(=O)O