Chemical compound
Paclitaxel
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
C47H51NO14
SMILES
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
Properties
- Formula
- C47H51NO14
- Molecular weight
- 853.9 g/mol
- PubChem CID
- 36314
- InChIKey
- RCINICONZNJXQF-MZXODVADSA-N
- XLogP
- 2.5
- TPSA
- 221 Ų
- H-bond donors
- 4
- H-bond acceptors
- 14