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PFB-FDG

CAT: 0931-T208388-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T208388-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
209540-64-7
Target
Others
Related Pathways
Others
Bioactivity
PFB-FDG is a non-fluorescent galactosidase substrate that can be hydrolyzed into the green fluorescent PFB-F (Ex=485 nm, Em=535 nm) . It is used for measuring β-galactosidase activity.
Smiles
O=C1OC2(C=3C1=CC(NC(=O)C4=C(F)C(F)=C(F)C(F)=C4F)=CC3)C=5C(OC=6C2=CC=C(O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O7)C6)=CC(O[C@H]8[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O8)=CC5
Molecular Formula
C39H32F5NO16
Molecular Weight
865.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pfb-fdg
CAS Number209540-64-7
PubChem CID18661146
IUPAC Name2,3,4,5,6-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
Molecular FormulaC39H32F5NO16
Molecular Weight865.7
XLogP1.2
Topological Polar Surface Area263
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count21
Rotatable Bond Count8
Heavy Atom Count61
Formal Charge0
Complexity1500
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
InChI
InChI=1S/C39H32F5NO16/c40-24-23(25(41)27(43)28(44)26(24)42)35(54)45-12-1-4-16-15(7-12)36(55)61-39(16)17-5-2-13(56-37-33(52)31(50)29(48)21(10-46)59-37)8-19(17)58-20-9-14(3-6-18(20)39)57-38-34(53)32(51)30(49)22(11-47)60-38/h1-9,21-22,29-34,37-38,46-53H,10-11H2,(H,45,54)/t21-,22-,29+,30+,31+,32+,33-,34-,37-,38-/m1/s1
InChIKey
YYMJMZGTQFITLS-QBMVDMLASA-N
Chemical Structure
2D Structure
2D structure of Pfb-fdg
CAS: 209540-64-7
CID: 18661146
Formula: C39H32F5NO16
MW: 865.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight865.7
XLogP31.2
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count21
Rotatable Bond Count8
Exact Mass865.16412474
Monoisotopic Mass865.16412474
Topological Polar Surface Area263 Ų
Heavy Atom Count61
Formal Charge0
Complexity1500
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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