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. |
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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