10344-94-2, 4-Nitrophenyl-β-D-glucuronide, CAS:10344-94-2

PNP-b-D-GlcA
PNPG (Gus)
, 4-Nitrophenyl-β-D-glucuronide,
CAS:10344-94-2
C12H13NO9 / 315.23
MFCD00036210

4-Nitrophenyl b-D-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
InChI	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
Isomeric 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-b-D-GlcAPNPG (Gus) MDL No: MFCD00036210 Chemical Formula: C12H13NO9 Molecular Weight: 315.23

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Product name: 4-Nitrophenyl-β-D-glucuronide CAS: 10344-94-2

M.F.: C₁₂H₁₃NO₉M.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 °C	93℃ ~195℃
Specific rotation ( [α]^24/D, in C₂H₅OH)	-106^o ~ -111^o	-108.5^o
Water (K.F.)	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%