[(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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[(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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CAS No:
121104-90-3
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Formula:
C16H21NO5
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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] 3-methylbenzoate
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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)]-
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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] 3-methylbenzoate Basic Attributes
307.34 g/mol
307.14197277 g/mol
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
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