estradiol disulfate

Ligand id: 8802

Name: estradiol disulfate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 143.96
Molecular weight 432.09
XLogP 2.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(8R,9S,13S,14S,17S)-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
Synonyms
17beta-estradiol-3,17-disulfate | estradiol-3,17-disulfate
Database Links
CAS Registry No. 3233-70-3
ChEMBL Ligand CHEMBL1162492
PubChem CID 66430
Search Google for chemical match using the InChIKey VPLAJGAMHNQZIY-ZBRFXRBCSA-N
Search Google for chemicals with the same backbone VPLAJGAMHNQZIY
Search UniChem for chemical match using the InChIKey VPLAJGAMHNQZIY-ZBRFXRBCSA-N
Search UniChem for chemicals with the same backbone VPLAJGAMHNQZIY
Comments
17Β-estradiol is the most potent mammalian estrogenic steroid. This is the sulphated form of that compound.