castanospermine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 229
Total Number of Articles : 188
PubChem 54445
Molecular Formula

C8H15NO4

SMILES

C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O

InChI

InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1

synonyms
  • castanospermine
  • 79831-76-8
  • Castinospermine
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Properties
Property Value
MW 189.21 g/mol
HBD 4
HBA 5
Rotatable Bond Count 0
Exact Mass 189.10010796 g/mol
Monoisotopic Mass 189.10010796 g/mol
Heavy Atom Count 13
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 201
xlogp -2.2
Topological Polar Surface Area 84.2