Gonyautoxin II

Base Information

• Chemical Name: Gonyautoxin II
• CAS No.: 60508-89-6
• Molecular Formula: C10H17 N7 O8 S
• Molecular Weight: 396.361
• European Community (EC) Number: 633-143-8
• DSSTox Substance ID: DTXSID60987580
• Metabolomics Workbench ID: 46079
• Mol file: 60508-89-6.mol

Synonyms:gonyautoxin II;gonyautoxin II, 9-alpha-isomer;gonyautoxin III

Chemical Property of Gonyautoxin II

Chemical Property:

• PKA: -3.88±0.18(Predicted)
• PSA: 254.62000
• Density: 2.52g/cm³
• LogP: -2.07250
• XLogP3: -6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 395.08593170
• Heavy Atom Count: 26
• Complexity: 792

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C23N1C(=NC(C2N=C(N3)N)COC(=O)N)N)(O)O)OS(=O)(=O)O
• Uses: A metabolite of Saxitoxin analog as a paralytic shellfish toxin.

Technology Process of Gonyautoxin II

There total 4 articles about Gonyautoxin II 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:

11β-hydroxyneosaxitoxin (64296-26-0) → 11α-hydroxysaxitoxin (60508-89-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Zn, 0.01 M HCl / Ambient temperature

2: NaOAc

With hydrogenchloride; sodium acetate; zinc;

DOI:10.1039/c39810000314

Reference yield:

11β-hydroxysaxitoxin sulfate (60537-65-7) → 11α-hydroxysaxitoxin (60508-89-6)

Guidance literature:

With sodium acetate;

DOI:10.1039/c39810000314

Reference yield:

11α-hydroxyneosaxitoxin sulfate (60748-39-2) → 11α-hydroxysaxitoxin (60508-89-6)

Guidance literature:

Multi-step reaction with 3 steps

1: NaOAc

2: Zn, 0.01 M HCl / Ambient temperature

3: NaOAc

With hydrogenchloride; sodium acetate; zinc;

DOI:10.1039/c39810000314

upstream raw materials:

11β-hydroxysaxitoxin sulfate

11α-hydroxyneosaxitoxin sulfate

11β-hydroxyneosaxitoxin

Downstream raw materials:

saxitoxin hydrate

Refernces