5-Methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-2-One
[CAS# 76474-54-9]

Identification

• Name: 5-Methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-2-One
• Synonyms: 5-Methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromen-2-One; 5-Methyl-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Chromenone; 5-Methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Coumarin
• Molecular Formula: C₁₆H₁₈O₈
• Molecular Weight: 338.31
• CAS Registry Number: 76474-54-9
• SMILES: [C@H]3(OC1=CC(OC2=C1C(=CC=C2)C)=O)[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO)O)O
• InChI: 1S/C16H18O8/c1-7-3-2-4-8-12(7)9(5-11(18)22-8)23-16-15(21)14(20)13(19)10(6-17)24-16/h2-5,10,13-17,19-21H,6H2,1H3/t10-,13-,14+,15-,16-/m1/s1
• InChIKey: DXBGTODWNFZHCD-LMXXTMHSSA-N

Properties

• Density: 1.559g/cm³ (Cal.)
• Boiling point: 648.825°C at 760 mmHg (Cal.)
• Flash point: 242.346°C (Cal.)