4-Nitrophenyl beta-D-glucopyranoside

• Catalog Number: ACM2492877
• Product Name: 4-Nitrophenyl beta-D-glucopyranoside
• CAS: 2492-87-7
• Category: Heterocyclic Organic Compound
• Synonyms: beta-D-glucopyranoside,4-nitrophenyl
• IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
• Molecular Weight: 301.25
• Molecular Formula: C12H15NO8
• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
• InChI: InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
• InChI Key: IFBHRQDFSNCLOZ-RMPHRYRLSA-N
• Boiling Point: 582.2ºC at 760 mmHg
• Melting Point: 165-168 °C
• Flash Point: 305.9ºC
• Density: 1.37 g/ml
• Appearance: White to yellow powder
• EC Number: 219-661-3
• Exact Mass: 301.08000
• Hazard Statements: Xn: Harmful;Xi: Irritant
• H-Bond Acceptor: 8
• H-Bond Donor: 4
• pKa: 12.55±0.70
• Refractive Index: -102.5 ° (C=1, H₂O)
• Safety Description: S36/37-S36-S26
• WGK Germany: 3