2′-Acetyltaxol
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2′-Acetyltaxol
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CAS No:
92950-40-8
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Formula:
C49H53NO15
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Chemical Name:
2′-Acetyltaxol
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Synonyms:
Benzenepropanoic acid,α-(acetyloxy)-β-(benzoylamino)-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester,(αR,βS)-;Benzenepropanoic acid,α-(acetyloxy)-β-(benzoylamino)-,6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester,[2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-;7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete,benzenepropanoic acid deriv.;2′-Acetyltaxol;Paclitaxel-2′-acetate;2′-Acetylpaclitaxel
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CAS No:
Computed Properties
Molecular Weight:895.9
XLogP3:3.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:16
Exact Mass:895.34151998
Monoisotopic Mass:895.34151998
Topological Polar Surface Area:227
Heavy Atom Count:65
Complexity:1910
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes