(2S,3R,4S,5S,6R)-2-[(3S)-3-(3-Hydroxy-2,4-Dimethoxyphenyl)Chroman-7-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
[CAS# 131749-60-5]

Identification

• Name: (2S,3R,4S,5S,6R)-2-[(3S)-3-(3-Hydroxy-2,4-Dimethoxyphenyl)Chroman-7-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
• Synonyms: (2S,3R,4S,5S,6R)-2-[(3S)-3-(3-Hydroxy-2,4-Dimethoxy-Phenyl)Chroman-7-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[[(3S)-3-(3-Hydroxy-2,4-Dimethoxyphenyl)-7-Chromanyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[(3S)-3-(3-Hydroxy-2,4-Dimethoxy-Phenyl)Chroman-7-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₂₃H₂₈O₁₀
• Molecular Weight: 464.47
• CAS Registry Number: 131749-60-5
• SMILES: [C@H]4(OC2=CC=C1C[C@H](COC1=C2)C3=CC=C(C(=C3OC)O)OC)[C@H](O)[C@@H](O)[C@H](O)[C@H](O4)CO
• InChI: 1S/C23H28O10/c1-29-15-6-5-14(22(30-2)19(15)26)12-7-11-3-4-13(8-16(11)31-10-12)32-23-21(28)20(27)18(25)17(9-24)33-23/h3-6,8,12,17-18,20-21,23-28H,7,9-10H2,1-2H3/t12-,17-,18-,20+,21-,23-/m1/s1
• InChIKey: ABIQOWLHYABFIJ-IMVNFGOTSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 683.684°C at 760 mmHg (Cal.)
• Flash point: 367.279°C (Cal.)