7-Troc-paclitaxel
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7-Troc-paclitaxel
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CAS No:
114915-17-2
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Formula:
C50H52Cl3NO16
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Chemical Name:
7-Troc-paclitaxel
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Synonyms:
7-Troc-Paclitaxel;(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(((2,2,2-trichloroethoxy)carbonyl)oxy)-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate;7-(2,2,2-Trichloroethyloxycarbonyl)taxol;EX-A3598
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CAS No:
Characteristics
236.59000
10.19
1.46±0.1 g/cm3(Predicted)
1041.1±65.0 °C(Predicted)
583.5±34.3 °C
1.629
Computed Properties
Molecular Weight:1029.3
XLogP3:5.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:18
Exact Mass:1027.235168
Monoisotopic Mass:1027.235168
Topological Polar Surface Area:237
Heavy Atom Count:70
Complexity:2060
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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