Protaxel
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Protaxel
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CAS No:
186040-50-6
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Formula:
C51H57NO18
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Chemical Name:
Protaxel
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Synonyms:
Benzenepropanoic acid,β-(benzoylamino)-α-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-4-[[(2,3-dihydroxypropoxy)carbonyl]oxy]-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-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,β-(benzoylamino)-α-hydroxy-,6,12b-bis(acetyloxy)-12-(benzoyloxy)-4-[[(2,3-dihydroxypropoxy)carbonyl]oxy]-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-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]]-;BP 179;Protaxel;Paclitaxel ceribate
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CAS No:
Computed Properties
Molecular Weight:972.0
XLogP3:2.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:20
Exact Mass:971.35756397
Monoisotopic Mass:971.35756397
Topological Polar Surface Area:277
Heavy Atom Count:70
Complexity:2020
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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