UNII-O37W3I0X4G

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 4
PubChem 44297352
Molecular Formula

C47H50FNO14

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=C(C=C6)F)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

InChI

InChI=1S/C47H50FNO14/c1-24-31(61-43(57)36(53)35(27-13-9-7-10-14-27)49-41(55)28-17-19-30(48)20-18-28)22-47(58)40(62-42(56)29-15-11-8-12-16-29)38-45(6,32(52)21-33-46(38,23-59-33)63-26(3)51)39(54)37(60-25(2)50)34(24)44(47,4)5/h7-20,31-33,35-38,40,52-53,58H,21-23H2,1-6H3,(H,49,55)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1

synonyms
  • 4-Fluoropaclitaxel
  • Fluoropaclitaxel
  • Fluoropaclitaxel F-18
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Properties
Property Value
MW 871.9 g/mol
HBD 4
HBA 15
Rotatable Bond Count 14
Exact Mass 871.32153343 g/mol
Monoisotopic Mass 871.32153343 g/mol
Heavy Atom Count 63
Isotope Atom Count 0
Atom Stereo Count 11
Covalent Unit Count 1
Complexity 1830
xlogp 2.6
Topological Polar Surface Area 221