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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H13NO3
Molecular Weight 159.183
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Calystegine A<sub>3</sub>

SMILES

O[C@@H]1C[C@H]2CC[C@](O)(N2)[C@H]1O

InChI

InChIKey=XOCBOVUINUHZJA-MVIOUDGNSA-N
InChI=1S/C7H13NO3/c9-5-3-4-1-2-7(11,8-4)6(5)10/h4-6,8-11H,1-3H2/t4-,5-,6+,7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H13NO3
Molecular Weight 159.183
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 06:30:29 GMT 2025
Edited
by admin
on Wed Apr 02 06:30:29 GMT 2025
Record UNII
AVU6KBU363
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Calystegine A<sub>3</sub>
Common Name English
(1R,2S,3R,5R)-8-Azabicyclo[3.2.1]octane-1,2,3-triol
Preferred Name English
8-Azabicyclo[3.2.1]octane-1,2,3-triol, (1R,2S,3R,5R)-
Systematic Name English
Code System Code Type Description
CAS
131580-36-4
Created by admin on Wed Apr 02 06:30:29 GMT 2025 , Edited by admin on Wed Apr 02 06:30:29 GMT 2025
PRIMARY
PUBCHEM
183073
Created by admin on Wed Apr 02 06:30:29 GMT 2025 , Edited by admin on Wed Apr 02 06:30:29 GMT 2025
PRIMARY
EPA CompTox
DTXSID30927276
Created by admin on Wed Apr 02 06:30:29 GMT 2025 , Edited by admin on Wed Apr 02 06:30:29 GMT 2025
PRIMARY
FDA UNII
AVU6KBU363
Created by admin on Wed Apr 02 06:30:29 GMT 2025 , Edited by admin on Wed Apr 02 06:30:29 GMT 2025
PRIMARY