4-Nitrophenyl alpha-D-glucuronide

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Catalog Number

ACM71484850

Product Name

Structure

CAS

71484-85-0

Category

Heterocyclic Organic Compound

Synonyms

4-Nitrophenyl alpha-D-glucopyranosiduronic acid

IUPAC Name

(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylic acid

Molecular Weight

315.23

Molecular Formula

C12H13NO9

Canonical 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

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-GBVMLCMLSA-N

Boiling Point

644.4±55.0 °C

Flash Point

343.541ºC

Density

1.731±0.06 g/ml

Appearance

Solid

Exact Mass

315.05900

H-Bond Acceptor

H-Bond Donor

pKa

2.69±0.70

MSDS

COA

Spec Sheet

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