(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(5-Bromo-1H-Indol-3-Yl)Oxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
[CAS# 124613-91-8]

Identification

• Name: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(5-Bromo-1H-Indol-3-Yl)Oxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
• Synonyms: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(5-Bromo-1H-Indol-3-Yl)Oxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[(5-Bromo-1H-Indol-3-Yl)Oxy]-4,5-Dihydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(5-Bromo-1H-Indol-3-Yl)Oxy]-4,5-Dihydroxy-2-Methylol-Tetrahydropyran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₂₀H₂₆BrNO₁₁
• Molecular Weight: 536.33
• CAS Registry Number: 124613-91-8
• SMILES: [C@H]4(OC1=C[NH]C2=C1C=C(C=C2)Br)[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)CO)[C@H](O4)CO
• InChI: 1S/C20H26BrNO11/c21-7-1-2-9-8(3-7)10(4-22-9)30-19-17(29)15(27)18(12(6-24)32-19)33-20-16(28)14(26)13(25)11(5-23)31-20/h1-4,11-20,22-29H,5-6H2/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20+/m1/s1
• InChIKey: IKBQYGJTUJRMFW-NQXZFOFXSA-N

Properties

• Density: 1.871g/cm³ (Cal.)
• Boiling point: 847.522°C at 760 mmHg (Cal.)
• Flash point: 466.365°C (Cal.)