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Paclitaxel Dihydrate

Paclitaxel Dihydrate structure

CAS No:
197778-55-5
Formula:
C47H51NO14.2H2O
Chemical Name:
Paclitaxel Dihydrate
Synonyms:
Benzenepropanoic acid,β-(benzoylamino)-α-hydroxy-,(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,hydrate (1:2),(αR,βS)-;Benzenepropanoic acid,β-(benzoylamino)-α-hydroxy-,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,dihydrate,[2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-;Benzenepropanoic acid,β-(benzoylamino)-α-hydroxy-,(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,dihydrate,(αR,βS)-;Paclitaxel dihydrate

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Paclitaxel Dihydrate Basic Attributes

Molecular Weight：

889.9 g/mol

Exact Mass：

889.35208467 g/mol

Characteristics

PSA：

223 Å²

Computed Properties

Molecular Weight:889.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:14
Exact Mass:889.35208467
Monoisotopic Mass:889.35208467
Topological Polar Surface Area:223
Heavy Atom Count:64
Complexity:1790
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of Paclitaxel Dihydrate

Basic Attributes
Characteristics
Computed Properties
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