Calystegin A3
Basic information
- CAS
131580-36-4- Standard SMILES
O[C@@H]1CC2CCC(O)(N2)[C@@H]1O- InChIKey
XOCBOVUINUHZJA-RKXXOXFUSA-N- Molecular formula
- C7H13NO3
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.08954328
Overview
Calystegin A3 is a member of piperidines.
Names & identifiers
- Preferred name
- Calystegin A3
- IUPAC
- (2R,3R)-8-azabicyclo[3.2.1]octane-1,2,3-triol
- English name
- calystegine A3
- Molecular formula
- C7H13NO3
- Molecular weight
- 159.18
Names & synonyms
Calystegin A3C10850(2R,3R)-8-azabicyclo[3.2.1]octane-1,2,3-triolAC1L9DTZCHEBI:3336DTXSID30927276Q27106030calystegine A3(+)-CalystegineA3(1R,2S,3R,5R)-8-Azabicyclo[3.2.1]octane-1,2,3-triol8-Azabicyclo[3.2.1]octane-1,2,3-triol, (1R,2S,3R,5R)-
Database identifiers
- CAS
131580-36-4- PubChem CID
- 442999
- DTXSID
DTXSID30927276- ChEBI
CHEBI:3336
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
Chemistry & industry
Applications
Uses(+)-Calystegine A3 is a natural product found in number of plant species such as in sprouts and tubers of potatoes. (+)-Calystegine A3 is used in the treatment of type 2 diabetes. Calystegine levels in potato cultivars subjected to wounding, light and heat treatments.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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