(2R,3S,4S,5S,6R)-2-(4-Nitrophenoxy)-6-[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxane-3,4,5-Triol
[CAS# 72647-96-2]

Identification

• Name: (2R,3S,4S,5S,6R)-2-(4-Nitrophenoxy)-6-[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxane-3,4,5-Triol
• Synonyms: (2R,3S,4S,5S,6R)-2-(4-Nitrophenoxy)-6-[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3,4,5-Triol; (2R,3S,4S,5S,6R)-2-(4-Nitrophenoxy)-6-[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]Tetrahydropyran-3,4,5-Triol; (2R,3S,4S,5S,6R)-2-(4-Nitrophenoxy)-6-[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₁₈H₂₅NO₁₃
• Molecular Weight: 463.39
• CAS Registry Number: 72647-96-2
• SMILES: [C@@H]2(O[C@H](OC1=CC=C([N+]([O-])=O)C=C1)[C@@H](O)[C@@H](O)[C@@H]2O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO
• InChI: 1S/C18H25NO13/c20-5-9-11(21)13(23)15(25)17(31-9)29-6-10-12(22)14(24)16(26)18(32-10)30-8-3-1-7(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: ISCYUJSLZREARS-LFVZYRDMSA-N

Properties

• Density: 1.702g/cm³ (Cal.)
• Boiling point: 791.287°C at 760 mmHg (Cal.)
• Flash point: 432.355°C (Cal.)