3-Ketotrehalose

Base Information

• Chemical Name: 3-Ketotrehalose
• CAS No.: 24885-76-5
• Molecular Formula: C12H20 O11
• Molecular Weight: 340.28
• DSSTox Substance ID: DTXSID50947779
• Nikkaji Number: J3.229.776E
• Wikidata: Q27124331
• Metabolomics Workbench ID: 58874
• Mol file: 24885-76-5.mol

Synonyms:3-ketotrehalose;3-oxotrehalose

Chemical Property of 3-Ketotrehalose

Chemical Property:

• Vapor Pressure: 3.65E-24mmHg at 25°C
• Boiling Point: 723.4°Cat760mmHg
• Flash Point: 272.9°C
• PSA: 186.37000
• Density: 1.76g/cm³
• LogP: -5.18900
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 340.10056145
• Heavy Atom Count: 23
• Complexity: 418

Purity/Quality:

99%min ^*data from raw suppliers

3-Ketotrehalose ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(C(C(C(O1)OC2C(C(=O)C(C(O2)CO)O)O)O)O)O)O
• Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H](C(=O)[C@@H]([C@H](O2)CO)O)O)O)O)O)O
• Uses: 3-Ketotrehalose is a 3-ketoglucosides and an oxidized product of glucoside 3-dehydrogenase. Glucoside 3-dehydrogenase is a FAD-enzyme that oxidizes glucosides and galactosides to their corresponding 3-ketoglucosides, which are reagents for detergents and polymers.