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FDGlcU

CAT: 0931-T86414-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T86414-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
209540-67-0
Target
Others
Related Pathways
Others
Bioactivity
FDGlcU is a fluorescent probe used for non-invasive imaging, demonstrating high fluorescent activity. When conjugated with two mono-glucuronides, it is non-fluorescent (Ex/Em=480/514 nm) [1].
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]7O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]7O)C6)=CC(O[C@@H]8O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]8O)=CC5
Molecular Formula
C39H28F5NO18
Molecular Weight
893.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

FDGlcU
CAS Number209540-67-0
PubChem CID10169963
IUPAC Name(2S,3S,4S,5R,6S)-6-[6'-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-oxo-5-[(2,3,4,5,6-pentafluorobenzoyl)amino]spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC39H28F5NO18
Molecular Weight893.6
XLogP1.6
Topological Polar Surface Area298
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count23
Rotatable Bond Count8
Heavy Atom Count63
Formal Charge0
Complexity1650
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)C(=O)O)O)O)O)OC7=C4C=CC(=C7)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O
InChI
InChI=1S/C39H28F5NO18/c40-20-19(21(41)23(43)24(44)22(20)42)33(52)45-10-1-4-14-13(7-10)36(57)63-39(14)15-5-2-11(58-37-29(50)25(46)27(48)31(61-37)34(53)54)8-17(15)60-18-9-12(3-6-16(18)39)59-38-30(51)26(47)28(49)32(62-38)35(55)56/h1-9,25-32,37-38,46-51H,(H,45,52)(H,53,54)(H,55,56)/t25-,26-,27-,28-,29+,30+,31-,32-,37+,38+/m0/s1
InChIKey
FZYCODLHHHKEGD-JXWZXEQKSA-N
Chemical Structure
2D Structure
2D structure of FDGlcU
CAS: 209540-67-0
CID: 10169963
Formula: C39H28F5NO18
MW: 893.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight893.6
XLogP31.6
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count23
Rotatable Bond Count8
Exact Mass893.12265385
Monoisotopic Mass893.12265385
Topological Polar Surface Area298 Ų
Heavy Atom Count63
Formal Charge0
Complexity1650
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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CatalogName
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CatalogName
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