Dodeca-valinomycin

Base Information

• Chemical Name: Dodeca-valinomycin
• CAS No.: 13507-80-7
• Molecular Formula: C₆₀H₁₀₂N₆O₁₈
• Molecular Weight: 1195.5
• Mol file: 13507-80-7.mol

Synonyms:cyclo(D-Val-Hyi-Val-D-Hyi)3;cyclo(valyl-hydroxyisovaleryl-valyl-hydroxyisovaleryl)3;dodeca-valinomycin

Chemical Property of Dodeca-valinomycin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1339.5°Cat760mmHg
• PKA: 11.02±0.70(Predicted)
• Flash Point: 763.9°C
• PSA: 353.34000
• Density: 1.044g/cm³
• LogP: 5.90700
• XLogP3: 12
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 12
• Exact Mass: 1194.72506043
• Heavy Atom Count: 84
• Complexity: 1890

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)N1)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
• Isomeric SMILES: CC(C)[C@H]1C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N1)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C

Technology Process of Dodeca-valinomycin

There total 5 articles about Dodeca-valinomycin 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: 70.0%

benzyloxycarbonyl-L-valyl-L-α-hydroxyisovaleryl-L-valyl-L-α-hydroxyisovaleryl-L-valyl-L-α-hydroxyisovaleryl-L-valyl-L-α-hydroxyisovaleryl-L-valyl-L-α-hydroxyisovaleryl-L-valyl-L-α-hydroxyisovaleric acid pentafluorophenyl ester (125760-06-7) → Cyclo-(L-Val-L-Hyiv-L-Val-L-Hyiv)3 (13507-80-7,14469-04-6,32689-54-6,32689-55-7,32689-56-8,32689-57-9,32689-58-0,32689-59-1,32689-60-4,32973-93-6,53178-05-5,57457-56-4,125827-11-4)

Guidance literature:

With dmap; hydrogen; palladium on activated charcoal; In 1,4-dioxane; at 90 ℃; for 6h;

DOI:10.1016/S0040-4039(00)99557-1

Reference yield: 14.0%

H-(L-Val-L-Hyiv-L-Val-L-Hyiv)3-OPfp (125760-05-6) → Cyclo-(L-Val-L-Hyiv-L-Val-L-Hyiv)3 (13507-80-7,14469-04-6,32689-54-6,32689-55-7,32689-56-8,32689-57-9,32689-58-0,32689-59-1,32689-60-4,32973-93-6,53178-05-5,57457-56-4,125827-11-4)

Guidance literature:

With dmap; In 1,4-dioxane; at 90 ℃; for 36h;

DOI:10.1016/S0040-4039(00)99557-1

Reference yield: 3.0%

H-(L-Val-L-Hyiv-L-Val-L-Hyiv)3-OH (125827-10-3) → Cyclo-(L-Val-L-Hyiv-L-Val-L-Hyiv)3 (13507-80-7,14469-04-6,32689-54-6,32689-55-7,32689-56-8,32689-57-9,32689-58-0,32689-59-1,32689-60-4,32973-93-6,53178-05-5,57457-56-4,125827-11-4)

Guidance literature:

With diphenyl-phosphinic acid; In 1,4-dioxane;

DOI:10.1016/S0040-4039(00)99557-1

upstream raw materials:

D-valyl->L-2-hydroxy-3-methyl-butyryl->L-valyl->D-2-hydroxy-3-methyl-butyryl->D-valyl->L-2-hydroxy-3-methyl-butyryl->L-valyl->D-2-hydroxy-3-methyl-butyryl->D-valyl->L-2-hydroxy-3-methyl-butyryl->L-valyl->D-2-hydroxy-3-methyl-butyric acid; hydrobromide

D-valyl->L-2-hydroxy-3-methyl-butyryl->L-valyl->D-2-hydroxy-3-methyl-butyric acid; hydrobromide

H-(L-Val-L-Hyiv-L-Val-L-Hyiv)3-OPfp

benzyloxycarbonyl-L-valyl-L-α-hydroxyisovaleryl-L-valyl-L-α-hydroxyisovaleryl-L-valyl-L-α-hydroxyisovaleryl-L-valyl-L-α-hydroxyisovaleryl-L-valyl-L-α-hydroxyisovaleryl-L-valyl-L-α-hydroxyisovaleric acid pentafluorophenyl ester

Refernces