6-Hydroxylpaclitaxel
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6-Hydroxylpaclitaxel
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CAS No:
153212-75-0
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Formula:
C47H51NO15
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Chemical Name:
6-Hydroxylpaclitaxel
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Synonyms:
Benzenepropanoic acid,β-(benzoylamino)-α-hydroxy-,(2aR,3S,4R,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-3,4,11-trihydroxy-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)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-3,4,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester,[2aR-[2aα,3α,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.;6α-Hydroxytaxol;6α-Hydroxypaclitaxel;6-Hydroxylpaclitaxel;153720-55-9;172228-55-6
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CAS No:
Description
White SolidChEBI: A taxane diterpenoid that consists of paclitaxel bearing an additional hydroxy substituent at the 6alpha-position.
6-hydroxypaclitaxel is a taxane diterpenoid that consists of paclitaxel bearing an additional hydroxy substituent at the 6alpha-position. It has a role as an antineoplastic agent. It is a taxane diterpenoid and a tetracyclic diterpenoid. It derives from a paclitaxel.
Characteristics
242
7.32
White Solid
1.43±0.1 g/cm3(Predicted)
177-180°C
979.8±65.0 °C(Predicted)
546.4±34.3 °C
1.646
Refrigerator
0mmHg at 25°C
Safety Information
P201, P202, P261, P271, P280, P281, P304+P340, P305+P351+P338, P308+P313, P310, P312, P403+P233, P405, P501
H318
|Danger|H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P201, P202, P261, P271, P280, P281, P304+P340, P305+P351+P338, P308+P313, P310, P312, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:869.9
XLogP3:1.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:14
Exact Mass:869.32586992
Monoisotopic Mass:869.32586992
Topological Polar Surface Area:242
Heavy Atom Count:63
Complexity:1830
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes