Basic information
- CAS
208708-11-6- Standard SMILES
OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](OC4[C@@H](O)[C@H](O)C(O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
XCUQINBMYSWRHJ-FHDDMTLJSA-N- Molecular formula
- C24H42O21
- Average molar mass
- 666.6 g/mol
- Monoisotopic mass
- 666.22185834
Overview
Fagopyritol B3 is an oligosaccharide.
Names & identifiers
- Preferred name
- fagopyritol B3
- IUPAC
- (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
Names & synonyms
fagopyritol B3SCHEMBL41949399CHEBI:193927DTXSID801317305208708-11-6(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(1S,2S,3R,4R,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranoside
Database identifiers
- CAS
208708-11-6- PubChem CID
- 9896047
- DTXSID
DTXSID801317305- ChEBI
CHEBI:193927- Nikkaji
- J1.379.496K
Properties
Computed structural properties
- XLogP
- -9.6
- Topological polar surface area
- 359 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 9
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 917
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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