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C12FDGlcU

Catalog Number	A18-0087
Category	Fluorescent Enzyme Substrates
Molecular Formula	C44H51NO18
Molecular Weight	881.87

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Product Introduction

C12FDGlcU is a fluorogenic substrate for beta-glucuronidase.

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
Canonical SMILES	CCCCCCCCCCCC(=O)NC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)OC6=C3C=CC(=C6)OC7C(C(C(C(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
Appearance	Solid Powder

XLogP3	4.6
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	17
Exact Mass	881.31061378 g/mol
Monoisotopic Mass	881.31061378 g/mol
Topological Polar Surface Area	298Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	1510
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Publication Number	Title	Priority Date
US-5208148-A	Lipophilic fluorescent glycosidase substrates	1990-12-07

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