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Chemical structure of Flutax 2

GC50397

Flutax 2

Also known as [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-9-[(2S)-2-[(2',7'-difluoro-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]propanoyl]oxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Green fluorescent taxol derivative; binds microtubules

ChemicalCAS301844-13-3MW1319.28FormulaC71H64F2N2O21
CAS number
301844-13-3
Molecular weight
1319.28
Formula
C71H64F2N2O21
Solubility
1·3mg/ml in DMSO
InChIKey
PGOSVWLSFOGNCE-LIESBUPCSA-N
Catalogue number
GC50397
Brand
GLPBIO
Computed properties PubChem CID 146673155 · XLogP 6.2 · TPSA 332 Ų · H-bond donors 6
XLogP
6.2
TPSA
332 Ų
H-bond donors
6
H-bond acceptors
23
Rotatable bonds
19
Heavy atoms
96

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)OC(=O)[C@H](C)NC(=O)C8=CC9=C(C=C8)C1(C2=CC(=C(C=C2OC2=CC(=C(C=C21)F)O)O)F)OC9=O)C)OC(=O)C

Computed descriptors from PubChem (CID 146673155), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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