1-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxypyrrole-2,5-Dione
[CAS# 122018-89-7]

Identification

• Name: 1-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxypyrrole-2,5-Dione
• Synonyms: 1-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxypyrrole-2,5-Dione; 1-[[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]Pyrrole-2,5-Dione; 1-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-Methylol-5-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-3-Pyrroline-2,5-Quinone
• Molecular Formula: C₁₆H₂₃NO₁₃
• Molecular Weight: 437.36
• CAS Registry Number: 122018-89-7
• SMILES: [C@H]3(ON1C(C=CC1=O)=O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@H](O3)CO
• InChI: 1S/C16H23NO13/c18-3-5-9(22)10(23)12(25)15(27-5)29-14-6(4-19)28-16(13(26)11(14)24)30-17-7(20)1-2-8(17)21/h1-2,5-6,9-16,18-19,22-26H,3-4H2/t5-,6-,9-,10+,11-,12-,13-,14-,15-,16+/m1/s1
• InChIKey: DLQYHMAWCJLUJE-DLZQOPQVSA-N

Properties

• Density: 1.81g/cm³ (Cal.)
• Boiling point: 753.975°C at 760 mmHg (Cal.)
• Flash point: 409.79°C (Cal.)