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C12FDGlcU

CAT: 0931-T85984-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T85984-02Size:25 mg
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CAS Number
423762-14-5
Target
Others
Related Pathways
Others
Bioactivity
C12FDGlcU, a lipophilic analog of fluorescein di-β-D-glucuronic acid, is valuable for detecting β-glucuronidase (GUS) gene expression. This compound penetrates cells and is subsequently cleaved by β-glucuronidase, releasing a yellow-colored, green-fluorescent fluorescein (Abs/Em of the reaction product: 495/518 nm) [1] [2].
Smiles
O=C1OC2(C=3C(OC=4C2=CC=C(O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)C4)=CC(O[C@@H]6O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]6O)=CC3)C=7C1=CC(NC(CCCCCCCCCCC)=O)=CC7
Molecular Formula
C44H51NO18
Molecular Weight
881.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

C12FDGlcU
CAS Number423762-14-5
PubChem CID18651651
IUPAC Name(2S,3S,4S,5R,6S)-6-[6'-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-(dodecanoylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC44H51NO18
Molecular Weight881.9
XLogP4.6
Topological Polar Surface Area298
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count18
Rotatable Bond Count17
Heavy Atom Count63
Formal Charge0
Complexity1510
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)C(=O)O)O)O)O)OC6=C3C=CC(=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)OC2=O
InChI
InChI=1S/C44H51NO18/c1-2-3-4-5-6-7-8-9-10-11-30(46)45-21-12-15-25-24(18-21)41(57)63-44(25)26-16-13-22(58-42-35(51)31(47)33(49)37(61-42)39(53)54)19-28(26)60-29-20-23(14-17-27(29)44)59-43-36(52)32(48)34(50)38(62-43)40(55)56/h12-20,31-38,42-43,47-52H,2-11H2,1H3,(H,45,46)(H,53,54)(H,55,56)/t31-,32-,33-,34-,35+,36+,37-,38-,42+,43+/m0/s1
InChIKey
BCUYISQZSHBHEJ-ASDHSWNRSA-N
Chemical Structure
2D Structure
2D structure of C12FDGlcU
CAS: 423762-14-5
CID: 18651651
Formula: C44H51NO18
MW: 881.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight881.9
XLogP34.6
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count18
Rotatable Bond Count17
Exact Mass881.31061378
Monoisotopic Mass881.31061378
Topological Polar Surface Area298 Ų
Heavy Atom Count63
Formal Charge0
Complexity1510
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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