4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine

Base Information

• Chemical Name: 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine
• CAS No.: 116169-15-4
• Molecular Formula: C26H41 N O18
• Molecular Weight: 655.6
• DSSTox Substance ID: DTXSID00151304
• Wikidata: Q83017746
• Mol file: 116169-15-4.mol

Synonyms:4'-O-(glucosyl)-5'-O-(cellobiosyl)pyridoxine;4-GCBPD

Chemical Property of 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine

Chemical Property:

• Boiling Point: 1024°Cat760mmHg
• Flash Point: 573.1°C
• PSA: 311.03000
• Density: 1.72g/cm³
• LogP: -6.44720
• XLogP3: -6.2
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 11
• Exact Mass: 655.23236346
• Heavy Atom Count: 45
• Complexity: 908

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C(=C1O)COC2C(C(C(C(O2)CO)O)O)O)COC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O
• Isomeric SMILES: CC1=NC=C(C(=C1O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O