(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-(4-Nitrophenoxy)Oxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
[CAS# 79580-50-0]

Identification

• Name: (2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-(4-Nitrophenoxy)Oxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
• Synonyms: (2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-(4-Nitrophenoxy)Tetrahydropyran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-(4-Nitrophenoxy)-3-Tetrahydropyranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-Methylol-2-(4-Nitrophenoxy)Tetrahydropyran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₁₈H₂₅NO₁₃
• Molecular Weight: 463.39
• CAS Registry Number: 79580-50-0
• SMILES: [C@@H]3(OC1=CC=C(C=C1)[N+](=O)[O-])[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](O2)CO)[C@@H](O)[C@H](O)[C@H](O3)CO
• InChI: 1S/C18H25NO13/c20-5-9-11(22)13(24)15(26)17(30-9)32-16-14(25)12(23)10(6-21)31-18(16)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11+,12-,13+,14+,15-,16+,17-,18+/m1/s1
• InChIKey: ZGWCYKZKLZNQQX-CLBNRFFPSA-N

Properties

• Density: 1.702g/cm³ (Cal.)
• Boiling point: 795.625°C at 760 mmHg (Cal.)
• Flash point: 434.978°C (Cal.)