4-nitrophenyl-beta-D-glucuronide

4-Nitrophenyl bD-glucuronide 4-nitrophenyl beta-D-glucuronide is a beta-D-glucosiduronic acid having a 4-nitrophenyl substituent at the anomeric position. It has a role as a chromogenic compound. It is a beta-D-glucosiduronic acid and a C-nitro compound. It derives from a 4-nitrophenol. CAS Number 10344-94-2 Product Name 4-Nitrophenyl beta-D-glucopyranosiduronic acid IUPAC Name (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylic acid Molecular Formula C12H13NO9 Molecular Weight 315.23 g/mol ikB InChI=1S/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13( 19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1 InChI Key QSUILVWOWLUOEU-GOVZDWNOSA-N SMILES C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)C(=O)O)O)O)O Synonyms 4-nitrophenylglucuronide, p-nitrophenyl-beta-D-glucuronide, p-nitrophenylglucuronide, para-nitrophenylglucuronide Canonical SMILES C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)C(=O)O)O)O)O Isometric SMILES C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@ H](O2)C(=O)O)O)O)O CAS No: 10344-94-2 Synonyms: PNP-bD-GlcAPNPG (Gus) MDL No: MFCD00036210 Chemical Formula: C12H13NO9 Molecular Weight: 315.23 In Stock , domestically produced high-purity, white crystalline powder. COA: Product name : 4-Nitrophenyl-?-D-glucuronide CAS: 10344-94-2 MF : C 12 H 13 NO 9 M .W.: 315.23 Batch No : 20140201 Quantity : 2g Items Standards Results Appearance white crystal powder Complies Solubility Soluble in hot water, insoluble ether Complies NMR and MS Should comply Comply Identification IR and HPLC Complies Melting point 90 ? ~95? 93 ? ~195 ? Specific rotation ([?] 24/D , in C 2 H 5 OH) -106 o ~ -111 o -108.5o ? Water (KF) Max. 5% 3.2% Heavy metal Max. 20ppm Complies Residue on ignition Max. 0.5% 0.1% TLC One spot One spot Assay by HPLC Min. 98% 99.3% *Substrate for assay of ?-glucuronidase activity. References: 1. Brot FE, et al., Biochemistry 1978, 17, 385