gonyautoxin V

Base Information

• Chemical Name: gonyautoxin V
• CAS No.: 64296-25-9
• Molecular Formula: C10H17 N7 O7 S
• Molecular Weight: 380.362
• Wikidata: Q105130290
• Mol file: 64296-25-9.mol

Synonyms:Carbamicacid, sulfo-, C-[(2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-1H,8H-pyrrolo[1,2-c]purin-4-yl)methyl]ester, [3aS-(3aa,4a,10aR*)]-; Carbamic acid, sulfo-,C-[[(3aS,4R,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl]ester (9CI); 1H,8H-Pyrrolo[1,2-c]purine, carbamic acid deriv.;Carbamoyl-N-sulfosaxitoxin; GTX V; GTX5; Gonyautoxin 5; Gonyautoxin V;N-Sulfocarbamoylsaxitoxin; Protogonyaulax Toxin B1; Toxin B 1 fromProtogonyaulax; Toxin B1

Chemical Property of gonyautoxin V

Chemical Property:

• PSA: 232.06000
• Density: 2.4g/cm³
• LogP: -1.59000
• Storage Temp.: 2-8°C
• XLogP3: -5.1
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 379.09101708
• Heavy Atom Count: 25
• Complexity: 760

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2C(=NC(C3C2(C1(O)O)NC(=N3)N)COC(=O)NS(=O)(=O)O)N
• Uses: Gonyautoxin-5 is one of the toxins responsible for incidents of paralytic shellfish poisoning. GTX5. EU regulated marine toxin.

Technology Process of gonyautoxin V

There total 1 articles about gonyautoxin V 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:

isocyanate de chlorosulfonyle (1189-71-5) + decarbamoylsaxitoxin hydrate → saxitoxin hydrate (35523-89-8) + 21-sulfosaxitoxin (64296-25-9)

Guidance literature:

In formic acid; at 0 ℃; rapid quenching with cold, aqueous NH₄AC;

DOI:10.1016/S0040-4039(00)87312-8

Reference yield:

21-sulfosaxitoxin (64296-25-9) → saxitoxin hydrate (35523-89-8)

Guidance literature:

With hydrogenchloride; at 100 ℃; for 0.0833333h;

DOI:10.1016/S0040-4039(00)87312-8

upstream raw materials:

isocyanate de chlorosulfonyle

Downstream raw materials:

saxitoxin hydrate

Refernces