Estradiol-3-sulfate

[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate

CAS: 481-96-9

Molecular Formula	`C18H24O5S`
Molecular Weight	352.4 g/mol
LogP	2.1
Topological Polar Surface Area	92.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	352.13443
Heavy Atoms	24
Complexity	585.0

Chemical Identifiers

CAS Number	481-96-9
SMILES	`CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OS(=O)(=O)O`
InChIKey	`QZIGLSSUDXBTLJ-ZBRFXRBCSA-N`

📖 Product Overview

Estradiol-3-sulfate (CAS: 481-96-9) is a chemical compound with molecular formula C18H24O5S and molecular weight 352.4 g/mol. Its IUPAC systematic name is [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate. LogP 2.1 Topological Polar Surface Area 92.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 352.13443 Heavy Atoms 24 Complexity 585.0 InChI Key: QZIGLSSUDXBTLJ-ZBRFXRBCSA-N. SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.

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