AG003LWA

10344-94-2 | 4-Nitrophenyl b-D-glucosiduronic acid

AG003LWA

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CAS Number	10344-94-2
Catalog Number	AG003LWA(AGN-PC-0OSEK4)
Chemical Name	4-Nitrophenyl b-D-glucosiduronic acid
EC Number	233-753-0
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylic acid
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
MDL Number	MFCD06412595
Molecular Formula	C12H13NO9
Molecular Weight	315.2329
SMILES	O=C([C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC2=CC=C([N+]([O-])=O)C=C2)O1)O
Synonyms	4-nitrophenylglucuronide, p-nitrophenyl-beta-D-glucuronide, p-nitrophenylglucuronide, para-nitrophenylglucuronide, 10344-94-2, 4-nitrophenyl-beta-D-glucuronide, 4-Nitrophenylglucuronide, 4-Nitrophenyl beta-D-glucopyranosiduronic acid, 4-Nitrophenyl b-D-glucosiduronic acid, 4-Nitrophenyl beta-D-glucuronide, p-Nitrophenyl beta-D-glucopyranosiduronic acid, p-Nitrophenyl-b-D-glucuronide, 4-Nitrophenyl b-D-glucuronide, p-nitrophenyl beta-d-glucuronide, CHEBI:90146, MFCD00036210, beta-D-Glucopyranosiduronic acid, 4-nitrophenyl, labeled with carbon-14, 4-Nitrophenyl-beta-D-glucopyranosiduronic acid, 60833-84-3, 4-Nitrophenyl-beta-D-glucuronide, 99+%, b-D-Glucopyranosiduronic acid,4-nitrophenyl, 4-nitrophenyl-beta-d-glucuronic acid, C3G, EINECS 233-753-0, PNP-b-D-GlcA, PNPG (Gus), 4-nitrophenyl glucuronide, SCHEMBL964789, 4-Nitrophenyl-ss-D-glucuronide, AC1L33O2, CHEMBL495244, p-Nitrophenyl |A-D-Glucuronide, 4-Nitrophenyl |A-D-glucuronide, CTK8B3999, BIM1203, DTXSID80209670, p-Nitrophenyl |A-Glucuronic Acid, QSUILVWOWLUOEU-GOVZDWNOSA-N, ZX-AFC000371, 4-Nitrophenyl I(2)-D-glucuronide, (4-nitro)phenyl-beta-d-glucoronide, ZINC4027679, ANW-43641, CN-443, GC6761, AKOS015916643, AKOS016009961, AKOS016015686, FS-5447, AJ-47765, AK113271, AX8099562, 4-Nitrophenyl-|A-D-glucopyranosiduronic acid, b-D-Glucopyranosiduronic acid,4-nitrophenyl-, FT-0604802, N0618, W0393, 4-Nitrophenyl |A-D-Glucopyranosiduronic Acid, p-nitrophenyl beta-d-glucopyranosiduroinc acid, K-0371, p-nitrophenyl beta-d-glucopyranoside-uronic acid, 4-Nitrophenyl beta-D-glucuronide, >=98% (TLC), 4-Nitrophenyl beta-D-glucuronide, >=99.0% (TLC), I14-50850, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylic acid, (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-nitrophenoxy)tetrahydropyran-2-carboxylic acid, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)tetrahydro-2H-pyran-2-carboxylic acid, PNPG, p-nitrophenylglucuronide, para-nitrophenylglucuronide, C12H13NO9, p-Nitrophenyl-beta-D-glucuronide, 4-Nitrophenylb-D-glucosiduronicacid, CID82565, C12-H13-N-O9, .beta.-D-Glucopyranosiduronic acid, 4-nitrophenyl, C002730, NPG,

Complexity	417
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	315.059g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	315.234g/mol
Monoisotopic Mass	315.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	162A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
Siginal words

Certificate of Analysis

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