fagopyritol B3

Base Information

• Chemical Name: fagopyritol B3
• CAS No.: 208708-11-6
• Molecular Formula: C24H42 O21
• DSSTox Substance ID: DTXSID801317305
• Nikkaji Number: J1.379.496K
• Mol file: 208708-11-6.mol

Synonyms:fagopyritol B3;CHEBI:193927;DTXSID801317305;(1S,2R,4R,5S)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol;208708-11-6

Chemical Property of fagopyritol B3

Chemical Property:

• XLogP3: -9.6
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 9
• Exact Mass: 666.22185834
• Heavy Atom Count: 45
• Complexity: 917

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4C(C(C(C(C4O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
• Isomeric SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)OC4[C@H]([C@@H](C([C@H]([C@@H]4O)O)O)O)O)O)O)O)O)O)O)O)O)O)O