Alitame hydrate

Base Information

• Chemical Name: Alitame hydrate
• CAS No.: 99016-42-9
• Molecular Formula: C28H60N6O13S2
• Molecular Weight: 752.949
• Hs Code.: 2934990002
• UNII: 6KI9M51JOG
• DSSTox Substance ID: DTXSID1035028
• Metabolomics Workbench ID: 47747
• NCI Thesaurus Code: C74194
• Wikidata: Q27895912
• Wikipedia: Alitame
• Mol file: 99016-42-9.mol

Synonyms:alitame;alpha-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)alaninamide

Chemical Property of Alitame hydrate

Chemical Property:

• Vapor Pressure: 2.25E-16mmHg at 25°C
• Melting Point: 132 - 137°C
• Boiling Point: 608.5°Cat760mmHg
• Flash Point: 321.8°C
• PSA: 353.75000
• Density: g/cm³
• LogP: 4.60410
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO, Methanol (Slightly)
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 12
• Exact Mass: 752.36597834
• Heavy Atom Count: 49
• Complexity: 465

Purity/Quality:

99% ^*data from raw suppliers

AlitameHydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC1C(SC1(C)C)(C)C)NC(=O)C(CC(=O)O)N.CC(C(=O)NC1C(SC1(C)C)(C)C)NC(=O)C(CC(=O)O)N.O.O.O.O.O
• Isomeric SMILES: C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N.C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N.O.O.O.O.O

Technology Process of Alitame hydrate

There total 1 articles about Alitame hydrate 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: 80.0%

→ alitame (99016-42-9)

Guidance literature:

Refernces