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Chemical structure of C12FDG

GC43021

C12FDG

Also known as 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]dodecanamide

C12FDG is the fluorescent substrate of β-galactosidase

ChemicalCAS138777-25-0MW853.9FormulaC44H55NO16
CAS number
138777-25-0
Molecular weight
853.9
Formula
C44H55NO16
Solubility
DMSO ： 50 mg/mL (58·55 mM; Need ultrasonic)
InChIKey
SLIWIQKBDGZFQR-PIVCGYGYSA-N
Catalogue number
GC43021
Brand
GLPBIO
Computed properties PubChem CID 18651648 · XLogP 4.2 · TPSA 263 Ų · H-bond donors 9
XLogP
4.2
TPSA
263 Ų
H-bond donors
9
H-bond acceptors
16
Rotatable bonds
17
Heavy atoms
61

SMILES CCCCCCCCCCCC(=O)NC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)OC6=C3C=CC(=C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)OC2=O

Computed descriptors from PubChem (CID 18651648), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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