Estrone sulfate
[(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
Molecular Identity
Estrone sulfate
[(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
PubChem CID: 3001028
Estrone 3-sulfate is a steroid sulfate that is the 3-sulfate of estrone. It has a role as a mouse metabolite and a human metabolite. It is a steroid sulfate and a 17-oxo steroid. It is functionally related to an estrone. It is a conjugate acid of an estrone 3-sulfate(1-). It derives from a hydride of an estrane.
2D Structure
Properties
C18H22O5S
Molecular Formula
350.40
Molecular Weight
g/mol
350.1188
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
89.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
624
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Estrone sulfate481-97-0Estrone hydrogen sulfateEstrone 3-sulfateestrone-3-sulfateestrone-3-sulphateEstrone bisulfateEstrone hemisulfateEstrone, hydrogen sulfate[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfateCONJUGOLPRICEQTL48N278K17-oxoestra-1,3,5(10)-trien-3-yl hydrogen sulfateCHEBI:17474
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Estrone sulfate
Loading drug network...