3-Nitrophenyl-beta-D-Glucopyranoside
[CAS# 20838-44-2]

Identification

• Name: 3-Nitrophenyl-beta-D-Glucopyranoside
• Synonyms: (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(3-Nitrophenoxy)Tetrahydropyran-3,4,5-Triol; (2R,3S,4S,5R,6S)-2-Methylol-6-(3-Nitrophenoxy)Tetrahydropyran-3,4,5-Triol; 3-Nitrophenyl Beta-D-Glucopyranoside
• Molecular Formula: C₁₂H₁₅NO₈
• Molecular Weight: 301.25
• CAS Registry Number: 20838-44-2
• EINECS: 244-074-4
• SMILES: [C@@H]2(OC1=CC(=CC=C1)[N+](=O)[O-])O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO
• InChI: 1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
• InChIKey: VCCMGHVCRFMITI-RMPHRYRLSA-N

Properties

• Density: 1.599g/cm³ (Cal.)
• Boiling point: 573.511°C at 760 mmHg (Cal.)
• Flash point: 300.649°C (Cal.)