Chemical Compound

castanospermine

CAS Registry Number79831-76-8
castanospermine chemical structure
Primary record

castanospermine

CAS
79831-76-8
PubChem CID
54445
SMILES
C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O
Molecular Formula
C8H15NO4
Molecular Weight
189.211
Exact Mass
189.1001
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
InChIKey
JDVVGAQPNNXQDW-TVNFTVLESA-N
LogP
-2.4821
TPSA
84.16

Names and synonyms

  • castanospermine
  • Castinospermine
  • 79831-76-8
  • 6-Epicastanospermine
  • Indolizine der.
  • (+)-Castanospermine
  • 2cbu
  • 6,7-Diepicastanospermine
  • 1-epicastanospermine
  • CAST
  • 1,6,7,8-Tetrahydroxyoctahydroindolizine
  • RefChem:574815
  • C8H15NO4
  • GlyTouCan:G92359QX
  • D09NYB
  • MolMap_000013
  • UPCMLD-DP122
  • UNII-Q0I3184XM7
  • CASTANOSPERMINE [MI]
  • DCG04
  • Q0I3184XM7
  • MFCD00017555
  • SCHEMBL61040
  • BSPBio_001552
  • KBioGR_000272
  • KBioSS_000272
  • CHEBI:27860
  • MLS000028641
  • JDVVGAQPNNXQDW-TVNFTVLESA-N
  • AC1L1H19