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
| Molecular Formula | C47H51NO14 |
|---|---|
| Molecular Weight | 853.9 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 221.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 853.33093 |
| Heavy Atoms | 62 |
| Complexity | 1790.0 |
Chemical Identifiers
| CAS Number | 33069-62-4 |
|---|---|
| SMILES | CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(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 |
| InChIKey | RCINICONZNJXQF-MZXODVADSA-N |
📖 Product Overview
paclitaxel (CAS: 33069-62-4) is a chemical compound with molecular formula C47H51NO14 and molecular weight 853.9 g/mol. Its IUPAC systematic name is [(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.
RCINICONZNJXQF-MZXODVADSA-N.
SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(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.
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