17-Beta-Estradiol-3,17-beta-sulfate

Base Information

• Chemical Name: 17-Beta-Estradiol-3,17-beta-sulfate
• CAS No.: 3233-70-3
• Molecular Formula: C18H24 O8 S2
• Molecular Weight: 432.516
• UNII: SF3WLQ8DVX
• Nikkaji Number: J875.440C
• Wikipedia: Estradiol_disulfate
• Wikidata: Q27077227
• Pharos Ligand ID: YNZWLBP9TQ9Q
• Metabolomics Workbench ID: 49457
• ChEMBL ID: CHEMBL1162492
• Mol file: 3233-70-3.mol

Synonyms:17beta-estradiol-3,17-disulfate;estradiol 3,17-disulfate;estradiol 3,17-disulfate, (17alpha)-isomer;estradiol 3,17-disulfate, dipotassium salt, (17beta)-isomer;estradiol 3,17-disulfate, disodium salt, (17beta)-isomer

Chemical Property of 17-Beta-Estradiol-3,17-beta-sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: -3.82±0.18(Predicted)
• Flash Point: °C
• PSA: 143.96000
• Density: 1.55g/cm³
• LogP: 5.07390
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 432.09126007
• Heavy Atom Count: 28
• Complexity: 798

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)OS(=O)(=O)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OS(=O)(=O)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O
• Uses: β-Estradiol 3,17-Disulfate is a conjugated estrogen.

Technology Process of 17-Beta-Estradiol-3,17-beta-sulfate

There total 1 articles about 17-Beta-Estradiol-3,17-beta-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:

estradiol (50-28-2) → 1,3,5(10)-estratrien-3,17β-diol-di-SO4 (3233-70-3)

Guidance literature:

With sulfur trioxide pyridine complex; In pyridine;

Reference yield:

1,3,5(10)-estratrien-3,17β-diol-di-SO4 (3233-70-3) → estradiol (50-28-2)

Guidance literature:

With ammonia; sodium; at -35 ℃; Product distribution; comparison to enzyme hydrolysis, acid solvolysis;

DOI:10.1016/0039-128X(84)90023-0

upstream raw materials:

estradiol

Downstream raw materials:

estradiol

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