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Chemical structure of PFB-FDG

GC76170

PFB-FDG

Also known as 2,3,4,5,6-pentafluoro-N-[3-oxo-3',6'-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]spiro[2-benzofuran-1,9'-xanthene]-5-yl]benzamide

PFB-FDG is a non-fluorescent galactosidase substrate that can be hydrolysed to green fluorescent PFB-F (Ex=485 nm, Em=535 nm)

ChemicalCAS209540-64-7MW865.66FormulaC39H32F5NO16
CAS number
209540-64-7
Molecular weight
865.66
Formula
C39H32F5NO16
Solubility
DMSO： 100 mg/mL (115·52 mM; ultrasonic and warming and heat to 60°C)
InChIKey
YYMJMZGTQFITLS-QBMVDMLASA-N
Catalogue number
GC76170
Brand
GLPBIO
Computed properties PubChem CID 18661146 · XLogP 1.2 · TPSA 263 Ų · H-bond donors 9
XLogP
1.2
TPSA
263 Ų
H-bond donors
9
H-bond acceptors
21
Rotatable bonds
8
Heavy atoms
61

SMILES C1=CC2=C(C=C1NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F)C(=O)OC24C5=C(C=C(C=C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)OC7=C4C=CC(=C7)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O

Computed descriptors from PubChem (CID 18661146), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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