4-Nitrophenyl beta-D-glucopyranoside
[CAS# 28123-63-9]

Identification

• Name: 4-Nitrophenyl beta-D-glucopyranoside
• Synonyms: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol; (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(4-nitrophenoxy)tetrahydropyran-3,4,5-triol; (4-Nitro)phenyl-?-D-glucopyranose
• Molecular Formula: C₁₂H₁₅NO₈
• Molecular Weight: 301.25
• CAS Registry Number: 28123-63-9
• 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: 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
• InChIKey: IFBHRQDFSNCLOZ-RMPHRYRLSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Melting point: 167°C (Expl.)
• Boiling point: 582.2±50.0°C at 760 mmHg (Cal.)
• Flash point: 305.9±30.1°C (Cal.)
• Refractive index: 1.648 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Lairson et al.. Using Substrate Engineering to Harness Enzymatic Promiscuity and Expand Biological Catalysis, Nature Chemical Biology, 2006