173468-29-6 , 4-Nitrophenyl b-D-xylotrioside

173468-29-6 , 4-Nitrophenyl b-D-xylotrioside
C21H29NO15 / 535.45

4-Nitrophenyl b-D-xylotrioside

4-Nitrophenyl b-D-xylotrioside is a chromogenic substrate that can be used to test for the presence of certain enzymes in food. This substrate is also used in enzyme assays and is a ligand for certain proteins. 4-Nitrophenyl b-D-xylotrioside is often used as a culture medium additive and has been shown to conjugate with glutathione reductase, cytochrome P450, and mycobacterium.

CAS Number	173468-29-6
Product Name	4-Nitrophenyl-b-xylotrioside
IUPAC Name	(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-(4-nitrophenoxy)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
Molecular Formula	C21H29NO15
Molecular Weight	535.5 g/mol
InChI	InChI=1S/C21H29NO15/c23-10-5-32-20(16(27)13(10)24)36-12-7-34-21(18(29)15(12)26)37-11-6-33-19(17(28)14(11)25)35-9-3-1-8(2-4-9)22(30)31/h1-4,10-21,23-29H,5-7H2/t10-,11-,12-,13+,14+,15+,16-,17-,18-,19+,20+,21+/m1/s1
InChI Key	HJRGODZIIOLZRT-MVOFOWCMSA-N
SMILES	C1C(C(C(C(O1)OC2COC(C(C2O)O)OC3COC(C(C3O)O)OC4=CC=C(C=C4)[N+](=O)[O-])O)O)O
Canonical SMILES	C1C(C(C(C(O1)OC2COC(C(C2O)O)OC3COC(C(C3O)O)OC4=CC=C(C=C4)[N+](=O)[O-])O)O)O
Isomeric SMILES	C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)OC4=CC=C(C=C4)[N+](=O)[O-])O)O)O