[(4R,5S,11S,12R)-5,11,12-triacetyloxy-4,5,11,12-tetrahydrobenzo[a]pyren-4-yl] acetate
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![[(4R,5S,11S,12R)-5,11,12-triacetyloxy-4,5,11,12-tetrahydrobenzo[a]pyren-4-yl] acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ccb7bc6d86554ef788868139b2e5403a.png "[(4R,5S,11S,12R)-5,11,12-triacetyloxy-4,5,11,12-tetrahydrobenzo[a]pyren-4-yl] acetate")
[(4R,5S,11S,12R)-5,11,12-triacetyloxy-4,5,11,12-tetrahydrobenzo[a]pyren-4-yl] acetate
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CAS No:
62533-85-1
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Formula:
C28H24O8
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Chemical Name:
[(4R,5S,11S,12R)-5,11,12-triacetyloxy-4,5,11,12-tetrahydrobenzo[a]pyren-4-yl] acetate
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Synonyms:
62533-85-1;Benzo(a)pyrene-4,5,11,12-tetrol, 4,5,11,12-tetrahydro-, tetraacetate, (4alpha,5alpha,11beta,12beta)-
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CAS No:
[(4R,5S,11S,12R)-5,11,12-triacetyloxy-4,5,11,12-tetrahydrobenzo[a]pyren-4-yl] acetate Basic Attributes
488.5 g/mol
488.14711772 g/mol
Computed Properties
Molecular Weight:488.5
XLogP3:3.2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:488.14711772
Monoisotopic Mass:488.14711772
Topological Polar Surface Area:105
Heavy Atom Count:36
Complexity:900
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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