[(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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[(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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CAS No:
121104-83-4
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Formula:
C15H18BrNO5
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Chemical Name:
[(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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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)]-
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CAS No:
[(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
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
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