1,3,5-Tris(beta-D-Glucopyranosyloxy)-2,4-Diiodobenzene
[CAS# 58163-18-1]

Identification

• Name: 1,3,5-Tris(beta-D-Glucopyranosyloxy)-2,4-Diiodobenzene
• Synonyms: (2S,3R,4S,5S,6R)-2-[2,6-Diiodo-3,5-Bis[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy]Phenoxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[2,6-Diiodo-3,5-Bis[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenoxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[2,6-Diiodo-3,5-Bis[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy]Phenoxy]-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₂₄H₃₄I₂O₁₈
• Molecular Weight: 864.33
• CAS Registry Number: 58163-18-1
• SMILES: [C@H]4(OC1=CC(=C(C(=C1I)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)I)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)CO)[C@H](O)[C@@H](O)[C@H](O)[C@H](O4)CO
• InChI: 1S/C24H34I2O18/c25-10-5(39-22-18(36)15(33)12(30)7(2-27)41-22)1-6(40-23-19(37)16(34)13(31)8(3-28)42-23)11(26)21(10)44-24-20(38)17(35)14(32)9(4-29)43-24/h1,7-9,12-20,22-24,27-38H,2-4H2/t7-,8-,9-,12-,13-,14-,15+,16+,17+,18-,19-,20-,22-,23-,24+/m1/s1
• InChIKey: UUBAKRZNODDPMY-XPYJTHOPSA-N

Properties

• Density: 2.189g/cm³ (Cal.)
• Boiling point: 1067.379°C at 760 mmHg (Cal.)
• Flash point: 599.329°C (Cal.)