1-DEOXYNOJIRIMYCIN

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 73
Total Number of Articles : 67
PubChem 29435
Molecular Formula

C6H13NO4

SMILES

C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O

InChI

InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1

synonyms
  • 1-DEOXYNOJIRIMYCIN
  • 19130-96-2
  • DUVOGLUSTAT
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Properties
Property Value
MW 163.17 g/mol
HBD 5
HBA 5
Rotatable Bond Count 1
Exact Mass 163.08445790 g/mol
Monoisotopic Mass 163.08445790 g/mol
Heavy Atom Count 11
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 132
xlogp -2.3
Topological Polar Surface Area 93