Phytochelatin 3

Base Information

• Chemical Name: Phytochelatin 3
• CAS No.: 86220-45-3
• Molecular Formula: C26H41 N7 O14 S3
• Molecular Weight: 771.848
• DSSTox Substance ID: DTXSID90235445
• Nikkaji Number: J91.940C
• Wikidata: Q27133399
• Metabolomics Workbench ID: 63481
• Mol file: 86220-45-3.mol

Synonyms:cadmium-gamma-glutamyl peptide complex, S pombe;cadystin protein, S pombe

Chemical Property of Phytochelatin 3

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1375.8°C at 760 mmHg
• Flash Point: 785.8°C
• PSA: 466.22000
• Density: 1.484g/cm³
• LogP: -1.63200
• XLogP3: -6.7
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 25
• Exact Mass: 771.18736253
• Heavy Atom Count: 50
• Complexity: 1270

Purity/Quality:

99% ^*data from raw suppliers

PHYTOCHELATIN 3 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(=O)NC(CS)C(=O)NC(CCC(=O)NC(CS)C(=O)NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O)C(=O)O)C(C(=O)O)N
• Isomeric SMILES: C(CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O)C(=O)O)[C@@H](C(=O)O)N

Technology Process of Phytochelatin 3

There total 12 articles about Phytochelatin 3 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: 82.8%

Boc-<γ-Glu(OBzl)-Cys(MBzl)>3-Gly-OBzl (131574-49-7) → H-γ-L-Glu-L-Cys-γ-L-Glu-L-Cys-γ-L-Glu-L-Cys-Gly-OH (cadystin A <1>) (86220-45-3)

Guidance literature:

With methyl-phenyl-thioether; hydrogen fluoride; 3-methyl-phenol; at 0 ℃; for 1h;

DOI:10.1248/cpb.38.2364

Reference yield: 66.0%

H-<γ-Glu-Cys(StBu)>3-Gly-OH (138901-84-5) → H-γ-L-Glu-L-Cys-γ-L-Glu-L-Cys-γ-L-Glu-L-Cys-Gly-OH (cadystin A <1>) (86220-45-3)

Guidance literature:

With ammonium acetate; 2-hydroxyethanethiol; for 2h; Ambient temperature;

Reference yield: 40.0%

Tr-L-Glu-OBn> (95014-76-9) → H-γ-L-Glu-L-Cys-γ-L-Glu-L-Cys-γ-L-Glu-L-Cys-Gly-OH (cadystin A <1>) (86220-45-3)

Guidance literature:

With hydrogen fluoride; ethane-1,2-dithiol; methoxybenzene; at 0 ℃; for 1h;

upstream raw materials:

Boc-<γ-Glu(OBzl)-Cys(MBzl)>3-Gly-OBzl

Tr-L-Glu-OBn>

H-<γ-Glu-Cys(StBu)>3-Gly-OH

GLUTATHIONE

Refernces

• 1、 Zeng, Weiguang,Hemmasi, Bahram. "Solution Synthesis of Phytochelatins, Isopeptides from the Plant Kingdom". . p. 311 - 316. Retrieved 2007/10/02.
• 2、 Kondo, Naoto,Isobe, Minoru,Imai, Kunio,Goto, Toshio. "Synthesis of Metallothionein-like Peptides Cadystin A and B Occurring in a Fission Yeast, and Their Isomers". . p. 71 - 84. Retrieved 2007/10/02.