4-Methylumbelliferyl alpha-Mannobioside
[CAS# 66068-40-4]

Identification

• Name: 4-Methylumbelliferyl alpha-Mannobioside
• Synonyms: 7-[(2R,3S,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-4-Methyl-Chromen-2-One; 7-[[(2R,3S,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-4-Methyl-2-Chromenone; 7-[(2R,3S,4R,5S,6R)-3,4-Dihydroxy-6-Methylol-5-[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-4-Methyl-Coumarin
• Molecular Formula: C₂₂H₂₈O₁₃
• Molecular Weight: 500.46
• CAS Registry Number: 66068-40-4
• SMILES: [C@H]2(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)CO)[C@H](O)[C@H](O)[C@H](O[C@@H]2CO)OC3=CC=C4C(=C3)OC(=O)C=C4C
• InChI: 1S/C22H28O13/c1-8-4-14(25)32-11-5-9(2-3-10(8)11)31-21-19(30)17(28)20(13(7-24)34-21)35-22-18(29)16(27)15(26)12(6-23)33-22/h2-5,12-13,15-24,26-30H,6-7H2,1H3/t12-,13-,15-,16+,17-,18+,19+,20-,21+,22+/m1/s1
• InChIKey: PRTGXBPFDYMIJH-DWTLARBISA-N

Properties

• Density: 1.658g/cm³ (Cal.)
• Boiling point: 830.319°C at 760 mmHg (Cal.)
• Flash point: 286.047°C (Cal.)