N-[4-(2,5-Dihydro-5-oxo-3-furanyl)phenyl]-4-(beta-D-glucopyranosyloxy)-Benzamide
[CAS# 58789-94-9]

Identification

• Name: N-[4-(2,5-Dihydro-5-oxo-3-furanyl)phenyl]-4-(beta-D-glucopyranosyloxy)-Benzamide
• Synonyms: N-[4-(5-Oxo-2H-Furan-3-Yl)Phenyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Benzamide; N-[4-(5-Oxo-2H-Furan-3-Yl)Phenyl]-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Benzamide; N-[4-(5-Keto-2H-Furan-3-Yl)Phenyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Benzamide
• Molecular Formula: C₂₃H₂₃NO₉
• Molecular Weight: 457.44
• CAS Registry Number: 58789-94-9
• SMILES: [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC4=CC=C(C(NC3=CC=C(C2=CC(OC2)=O)C=C3)=O)C=C4
• InChI: 1S/C23H23NO9/c25-10-17-19(27)20(28)21(29)23(33-17)32-16-7-3-13(4-8-16)22(30)24-15-5-1-12(2-6-15)14-9-18(26)31-11-14/h1-9,17,19-21,23,25,27-29H,10-11H2,(H,24,30)/t17-,19-,20+,21-,23-/m1/s1
• InChIKey: LIOKFWILDPMTCZ-OXUVVOBNSA-N

Properties

• Density: 1.537g/cm³ (Cal.)
• Boiling point: 700.829°C at 760 mmHg (Cal.)
• Flash point: 377.648°C (Cal.)