Estradiol 17-sulfate

Base Information

• Chemical Name: Estradiol 17-sulfate
• CAS No.: 3233-69-0
• Molecular Formula: C₁₈H₂₄O₅S
• Molecular Weight: 352.452
• DSSTox Substance ID: DTXSID50954120
• Nikkaji Number: J401.178C
• Wikipedia: Estradiol_17%CE%B2-sulfate
• Wikidata: Q56501475
• Mol file: 3233-69-0.mol

Synonyms:estradiol 17-sulfate;estradiol 17-sulfate, sodium salt

Chemical Property of Estradiol 17-sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 92.21000
• Density: 1.39g/cm³
• LogP: 4.51710
• XLogP3: 3.6
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2OS(=O)(=O)O)CCC4=C3C=CC(=C4)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OS(=O)(=O)O)CCC4=C3C=CC(=C4)O
• Uses: Estradiol 17β-sulfate is a naturally occuring steroid in whihc can be converted into Estradiol(E888000)

Technology Process of Estradiol 17-sulfate

There total 2 articles about Estradiol 17-sulfate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 17β-Oestradiol-17-sulfat (3233-69-0,47328-45-0)

Guidance literature:

DOI:10.1016/0039-128X(69)90094-4

Reference yield:

estradiol (50-28-2) → Estrone (53-16-7) + estrone sulfate (481-97-0) + α-estradiol (57-91-0) + estradiol-3-sulfate (481-96-9) + 17-alpha-estradiol-3-sulfate (22139-70-4) + estradiol-17ξ 17-sulfate (3233-69-0,47328-45-0)

Guidance literature:

Product distribution; Mechanism; metabolism after i. v. injection in White Leghorn laying hens, <3H>labelled;

DOI:10.1016/0039-128X(84)90059-X

upstream raw materials:

estradiol

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