fagopyritol A1
Basic information
- CAS
209287-65-0- Standard SMILES
OC[C@H]1O[C@H](OC2[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
VCWMRQDBPZKXKG-FDYPKGGJSA-N- Molecular formula
- C12H22O11
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.11621151
Overview
Fagopyritol A1 is an alpha-D-galactoside having a 1D-chiro-inositol substituent at the anomeric position. It has a role as a plant metabolite. It is functionally related to a 1D-chiro-inositol.
Names & identifiers
- Preferred name
- fagopyritol A1
- IUPAC
- (1S,2S,4S,5R)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
Names & synonyms
fagopyritol A1O-alpha-D-galactopyranosyl-(1->3)-1D-chiro-inositol(1S,2R,3S,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl alpha-D-galactopyranosideCHEBI:156276VCWMRQDBPZKXKG-FDYPKGGJSA-NDTXSID501317413(1R,2S,4S,5S)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol209287-65-0
Database identifiers
- CAS
209287-65-0- PubChem CID
- 9840967
- DTXSID
DTXSID501317413- ChEBI
CHEBI:156276- Nikkaji
- J1.398.183C
Properties
Computed structural properties
- XLogP
- -5.3
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Related reactions
2 records
Compound notes
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