Fosfestrol

Base Information

• Chemical Name: Fosfestrol
• CAS No.: 522-40-7
• Molecular Formula: C18H22O8P2
• Molecular Weight: 428.315
• European Community (EC) Number: 208-328-8
• UN Number: 3249
• UNII: A0E0NMA80F
• DSSTox Substance ID: DTXSID3046906
• Nikkaji Number: J6.623K,J32.137K
• Wikipedia: Fosfestrol
• Wikidata: Q1003185
• NCI Thesaurus Code: C1105
• Pharos Ligand ID: 2A2MH8KXT121
• Metabolomics Workbench ID: 70065
• ChEMBL ID: CHEMBL1200598
• Mol file: 522-40-7.mol

Synonyms:diethyldioxystilbene diphosphate;diethylstilbestrol diphosphate;difostilben;fosfesterol;fosfestrol;fosfestrol, (E)-isomer;fosfestrol, 99Tc-labeled cpd;fosfestrol, disodium salt, (E)-isomer;fosfestrol, sodium salt, (E)-isomer;fosfestrol, tetrasodium salt, (E)-isomer;fostestrolum;fostrolin;Honvan;Kyorin;ST-52;stilbestrol diphosphate;Stilphostrol

Chemical Property of Fosfestrol

Chemical Property:

• Vapor Pressure: 1.03E-17mmHg at 25°C
• Melting Point: 250.5°C
• Boiling Point: 648.7°Cat760mmHg
• Flash Point: 346.1°C
• PSA: 153.14000
• Density: 1.433g/cm³
• LogP: 4.36040
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 428.07899165
• Heavy Atom Count: 28
• Complexity: 568
• Transport DOT Label: Poison

Purity/Quality:

99%, ^*data from raw suppliers

3-Hexene-3,4-diylbis(4,1-phenylene)bis[dihydrogen (phosphate)] ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(CC)C1=CC=C(C=C1)OP(=O)(O)O)C2=CC=C(C=C2)OP(=O)(O)O
• Isomeric SMILES: CC/C(=C(/CC)\C1=CC=C(C=C1)OP(=O)(O)O)/C2=CC=C(C=C2)OP(=O)(O)O
• Uses: Diethylstilbestrol Diphosphate USP (Stilphostrol) is used to treat Prostatic carcinoma.

Technology Process of Fosfestrol

There total 2 articles about Fosfestrol 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:

diethylstilbestrol (56-53-1,8053-00-7) → diethylstilbestrol diphosphate (522-40-7)

Guidance literature:

With pyridine; trichlorophosphate; Eintragen des Reaktionsgemisches in wss. NaHCO₃ und Ansaeuern mit wss. HCl;

Reference yield:

→ diethylstilbestrol diphosphate (522-40-7)

Guidance literature:

Stilbestrol, POCl3/Py.;

upstream raw materials:

diethylstilbestrol