3-Deoxyoctulosonic acid disaccharide

Base Information

• Chemical Name: 3-Deoxyoctulosonic acid disaccharide
• CAS No.: 94722-74-4
• Molecular Formula: C16H26 O15
• Molecular Weight: 458.36864
• DSSTox Substance ID: DTXSID20915349
• Wikidata: Q27120773
• Metabolomics Workbench ID: 56767
• Mol file: 94722-74-4.mol

Synonyms:3-deoxy-D-manno-octulosonic acid disaccharide;3-deoxyoctulosonic acid disaccharide;3-deoxyoctulosonic acid-(alpha-2-4)-3-deoxyoctulosonic acid;3-DODO

Chemical Property of 3-Deoxyoctulosonic acid disaccharide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 951.8°C at 760 mmHg
• Flash Point: 335.3°C
• PSA: 264.13000
• Density: 1.86g/cm³
• LogP: -5.70740
• XLogP3: -4.7
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 458.12717012
• Heavy Atom Count: 31
• Complexity: 659

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(OC1(C(=O)O)OC2CC(OC(C2O)C(CO)O)(C(=O)O)O)C(CO)O)O)O
• Isomeric SMILES: C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O[C@@H]2C[C@@](O[C@@H]([C@@H]2O)[C@@H](CO)O)(C(=O)O)O)[C@@H](CO)O)O)O