(+)-Castanospermine

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Properties Simple | Detailed

Formula C8H15NO4
IUPAC Name (1s,4r,6s,7r,8r,8ar)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
Molecular Mass 189.209 g·mol−1
Heat of Formation -766.7 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 220.99 Å 3
Surface Area 202.26 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 4.91 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,6s,7r,8ar)-tetrahydroxyoctahydroindolizine
  • (1s,6s,7r,8r,8ar)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
  • (1s,6s,7r,8r,8ar)-1,6,7,8-tetrahydroxyindolizidine
  • (1s,6s,7r,8r,8ar)-1,6,7,8-tetrahydroxyoctahydroindolizidine
  • (1s,6s,7r,8r,8ar)-indolizidine-1,6,7,8-tetrol
  • (1s,6s,7r,8r,8ar)-octahydro-1,6,7,8-indolizinetetrol
  • 1,6,7,8-indolizinetetrol, octahydro-, (1s-(1alpha,6beta,7alpha,8beta,8alphabeta))-
  • 1,6,7,8-tetrahydroxyoctahydroindolizine
  • 6,7-diepicastanospermine
  • 6-epicastanospermine
  • bcbcmap01_000133
  • bio1_000396
  • bio1_000885
  • bio1_001374
  • bio2_000272
  • bio2_000752
  • cas
  • cast
  • castanospermine castanospermum australe seeds
  • castanospermine, <i>castanospermum australe
  • castinospermine
  • cts
  • indolizine der.
  • molmap_000013
  • smp1_000059
CAS Number(s)
  • 79831-76-8
InChIKey JDVVGAQPNNXQDW-TVNFTVLESA-N
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