Molecule

8-Azabicyclo[3.2.1]octane-1,2,3,6-tetrol; (1S,2R,3S,6S)-form

AlkaPlorer ID: AK289904

Synonym: Calystegine B1

IUPAC Name: 8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol

SMILES: OC1CC2(O)NC1CC(O)C2O

InChI: InChI=1S/C7H13NO4/c9-4-1-3-5(10)2-7(12,8-3)6(4)11/h3-6,8-12H,1-2H2

InChIKey: BQFFLYRIKODYEN-UHFFFAOYSA-N

PubChem CID: 3804328

CAS: 127414-86-2

LOTUS: LTS0221403

COCONUT: CNP0157562.2

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Nicandra physalodes	Nicandra	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Calystegia sepium	Calystegia	Convolvulaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Calystegia	Convolvulaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Atropa belladonna	Atropa	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 175.184

TPSA？: 92.95

MolLogP？: -2.4767

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi