Docetaxel

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Properties Simple | Detailed

Formula C43H53NO14
IUPAC Name docetaxel
Molecular Mass 807.879 g·mol−1
Heat of Formation -2400.9 ± 16.7 kJ·mol−1
Dipole Moment 7.08 ± 1.08 D
Volume 921.07 Å 3
Surface Area 572.47 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2ar,4s,4as,6r,9s,11s,12s,12ar,12bs)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1h-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (ar,bs)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate
  • anx-514
  • docetaxel anhydrous
  • rp-56976
  • sdp-014
  • txl
  • xrp-6976l
CAS Number(s)
  • 114977-28-5
InChIKey ZDZOTLJHXYCWBA-VCVYQWHSSA-N
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