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Home > Encyclopedia > [(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] 4-bromobenzoate

[(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] 4-bromobenzoate

[(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] 4-bromobenzoate structure

[(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] 4-bromobenzoate 

structure
  • CAS No:

    121104-83-4

  • Formula:

    C15H18BrNO5

  • Chemical Name:

    [(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] 4-bromobenzoate

  • Synonyms:

    MDL 44370;MDL 44,370;Castanospermine, 6-O-(4-bromobenzoyl)-;121104-83-4;[(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] 4-bromobenzoate;6-O-(4-bromobenzoyl)castanospermine;SCHEMBL9118414;DTXSID70923676;1,7,8-Trihydroxyoctahydroindolizin-6-yl 4-bromobenzoate;Benzoic acid, 4-bromo-, octahydro-1,7,8-trihydroxy-6-indolizinyl ester, (1S-(1alpha,6beta,7alpha,8beta,8abeta))-;Benzoic acid, 4-bromo-, octahydro-1,7,8-trihydroxy-6-indolizinyl ester, [1S-(1a,6b,7a,8b,8ab)]-

[(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] 4-bromobenzoate Basic Attributes

372.21 g/mol

371.03684 g/mol

Characteristics

90.2 Ų

Computed Properties

Molecular Weight:372.21
XLogP3:0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:371.03684
Monoisotopic Mass:371.03684
Topological Polar Surface Area:90.2
Heavy Atom Count:22
Complexity:415
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] 4-bromobenzoate

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