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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] 3-methylbenzoate

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

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

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

structure
  • CAS No:

    121104-90-3

  • Formula:

    C16H21NO5

  • Chemical Name:

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

  • Synonyms:

    MDL 29,435;Castanospermine, 6-O-(3-methylbenzoyl)-;121104-90-3;6-O-(3-Methylbenzoyl)castanospermine;SCHEMBL9514199;DTXSID90923678;Benzoic acid, 3-methyl-, octahydro-1,7,8-trihydroxy-6-indolizinyl ester, (1S-(1alpha,6beta,7alpha,8beta,8abeta))-;1,7,8-Trihydroxyoctahydroindolizin-6-yl 3-methylbenzoate;[(1S,4S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] 3-methylbenzoate;Benzoic acid, 3-methyl-, 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] 3-methylbenzoate Basic Attributes

307.34 g/mol

307.14197277 g/mol

Characteristics

90.2 Ų

Computed Properties

Molecular Weight:307.34
XLogP3:0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:307.14197277
Monoisotopic Mass:307.14197277
Topological Polar Surface Area:90.2
Heavy Atom Count:22
Complexity:417
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] 3-methylbenzoate

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