(1S)-1,5-Anhydro-1-(5,7-dihydroxy-2-methyl-4-oxo-4H-chromen-6-yl)-D-glucitol
[CAS# 89701-85-9]

Identification

• Name: (1S)-1,5-Anhydro-1-(5,7-dihydroxy-2-methyl-4-oxo-4H-chromen-6-yl)-D-glucitol
• Synonyms: (1S)-1,5-anhydro-1-(5,7-dihydroxy-2-methyl-4-oxo-4H-chromen-6-yl)-D-glucitol; 5,7-dihydroxy-2-methylchromone 6-C-β-D-glucoside; D-glucitol, 1,5-anhydro-1-C-(5,7-dihydroxy-2-methyl-4-oxo-4H-1-benzopyran-6-yl)-, (1S)-
• Molecular Formula: C₁₆H₁₈O₉
• Molecular Weight: 354.31
• CAS Registry Number: 89701-85-9
• SMILES: CC1=CC(=O)C2=C(O1)C=C(C(=C2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
• InChI: 1S/C16H18O9/c1-5-2-6(18)10-8(24-5)3-7(19)11(13(10)21)16-15(23)14(22)12(20)9(4-17)25-16/h2-3,9,12,14-17,19-23H,4H2,1H3/t9-,12-,14+,15-,16+/m1/s1
• InChIKey: XTZWWMZDVUKEDJ-SPEJKDPOSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 688.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 255.8±25.0°C (Cal.)