Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, potassium salt

Base Information

• Chemical Name: Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, potassium salt
• CAS No.: 1240-04-6
• Molecular Formula: C18H22KO5S
• Molecular Weight: 389.5276
• European Community (EC) Number: 214-985-1
• Mol file: 1240-04-6.mol

Synonyms:1240-04-6;Estrone 3-sulfate potassium salt;Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, potassium salt;1,3,5(10)-Estratrien-17-one 3-sulfate;Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, potassium salt (9CI);JFIBAFYJSLMYFH-ZFINNJDLSA-N;CID 16219335;Estrone 3-sulfate potassium salt, >=98%;potassium;[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Chemical Property of Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, potassium salt

Chemical Property:

• PSA: 89.05000
• LogP: 4.37420
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 389.08250146
• Heavy Atom Count: 25
• Complexity: 624

Purity/Quality:

99% ^*data from raw suppliers

Estrone 3-sulfate potassium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.[K]
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.[K]
• Uses: Estrone 3-sulfate Potassium Salt is a hormone used to study human bone metabolism. It can be used in biological study of effect of steroids, including progestin and estrogen components of oral contraceptive drugs, on the esterase activity of thrombin.