2-Nitrophenyl β-D-Glucuronide

CAT: 0024-sc-213871Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-213871Size:100 mg

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CAS Number

137629-36-8

Chemical Information

(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-nitrophenoxy)tetrahydro-2H-pyran-2-carboxylic acid

CAS Number	137629-36-8
PubChem CID	22817847
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-nitrophenoxy)oxane-2-carboxylic acid
Molecular Formula	C12H13NO9
Molecular Weight	315.23
XLogP	-0.2
Topological Polar Surface Area	162
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	425

SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

InChI

InChI=1S/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-4-2-1-3-5(6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1

InChIKey

UADVJQJTJSOJOQ-GOVZDWNOSA-N

Chemical Structure

2D Structure

CAS: 137629-36-8

CID: 22817847

Formula: C12H13NO9

MW: 315.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.23
XLogP3	-0.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	315.05903099
Monoisotopic Mass	315.05903099
Topological Polar Surface Area	162 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	425
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-488266	4-Nitrophenyl α-D-Glucuronide
sc-286631B	P-Nitrophenyl-β-D-glucuronide
sc-286631A	P-Nitrophenyl-β-D-glucuronide
sc-286631	P-Nitrophenyl-β-D-glucuronide
sc-286631C	P-Nitrophenyl-β-D-glucuronide
sc-213872	2-Nitrophenyl 2,3,4-Tri-O-acetyl-β-D-glucuronide, Methyl Ester
sc-216258	2-Nitrophenyl β-D-fucopyranoside
sc-220751A	2-Nitrophenyl β-D-glucopyranoside
sc-220751	2-Nitrophenyl β-D-glucopyranoside
sc-216257A	2-Nitrophenyl β-D-cellobioside

Catalog	Name
GC5464-1g	2-Nitrophenyl β-D-Glucuronide
EN04827-01	2-Nitrophenyl b-D-glucuronide
BICL4183-01	2-Nitrophenyl beta-D-glucuronide
HY-W039892-01	4-Nitrophenyl β-D-glucuronide
GTR19245116-01	4-Nitrophenyl α-D-Glucuronide
258029-01	4-Nitrophenyl a-D-glucuronide
90027161-1g	4-Nitrophenyl Beta-D-glucuronide
TSW-00784-01	4-Nitrophenyl β-D-glucuronide sodium
N2594-08X	P-Nitrophenyl b-D-Glucuronide
257879-01	4-Nitrophenyl b-D-glucuronide