Oxytocin, beta mercapto-beta,beta-cyclopentamethylenepropionic acid-trp(2)-arg(8)-

Base Information

• Chemical Name: Oxytocin, beta mercapto-beta,beta-cyclopentamethylenepropionic acid-trp(2)-arg(8)-
• CAS No.: 133851-41-9
• Molecular Formula: C₅₀H₇₅N₁₅O₁₁S₂
• Molecular Weight: 1126.37
• DSSTox Substance ID: DTXSID70158401
• Mol file: 133851-41-9.mol

Synonyms:beta mercapto-beta,beta-cyclopentamethylenepropionic acid-2-Trp-8-Arg-oxytocin;beta mercapto-beta,beta-cyclopentamethylenepropionic acid-Trp(2)-Arg(8)-oxytocin, (D-Trp)-isomer;OMCPTA;oxytocin, beta mercapto-beta,beta-cyclopentamethylenepropionic acid-Trp(2)-Arg(8)-;oxytocin, beta mercapto-beta,beta-cyclopentamethylenepropionic acid-tryptophyl(2)-arginine(8)-

Chemical Property of Oxytocin, beta mercapto-beta,beta-cyclopentamethylenepropionic acid-trp(2)-arg(8)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 12.85±0.70(Predicted)
• Flash Point: °C
• PSA: 481.57000
• Density: 1.5g/cm³
• LogP: 3.80550
• XLogP3: -2
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 31
• Exact Mass: 1125.52119062
• Heavy Atom Count: 78
• Complexity: 2210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(C=S)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CC4(CCCCC4)S
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C=S)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CC4(CCCCC4)S

Technology Process of Oxytocin, beta mercapto-beta,beta-cyclopentamethylenepropionic acid-trp(2)-arg(8)-

There total 1 articles about Oxytocin, beta mercapto-beta,beta-cyclopentamethylenepropionic acid-trp(2)-arg(8)- 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:

C50H77N15O11S2 (129093-23-8) → oxytocin (133851-41-9)

Guidance literature:

With ammonium hydroxide; potassium hexacyanoferrate(III); In acetic acid; Yield given;

DOI:10.1021/jm00111a025

upstream raw materials:

C₅₀H₇₇N₁₅O₁₁S₂

Refernces