(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-6-(2,4-Dinitrophenoxy)-5-Fluoro-4-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
[CAS# 154862-23-4]

Identification

• Name: (2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-6-(2,4-Dinitrophenoxy)-5-Fluoro-4-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
• Synonyms: (2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-6-(2,4-Dinitrophenoxy)-5-Fluoro-4-Hydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-(2,4-Dinitrophenoxy)-5-Fluoro-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-6-(2,4-Dinitrophenoxy)-5-Fluoro-4-Hydroxy-2-Methylol-Tetrahydropyran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₁₈H₂₃FN₂O₁₄
• Molecular Weight: 510.38
• CAS Registry Number: 154862-23-4
• SMILES: [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)OC3=C(C=C(C=C3)[N+]([O-])=O)[N+]([O-])=O)F)O)CO)O)O
• InChI: 1S/C18H23FN2O14/c19-11-13(25)16(35-18-15(27)14(26)12(24)9(4-22)33-18)10(5-23)34-17(11)32-8-2-1-6(20(28)29)3-7(8)21(30)31/h1-3,9-18,22-27H,4-5H2/t9-,10-,11-,12-,13-,14+,15-,16-,17-,18+/m1/s1
• InChIKey: WFVCNOHOODVBQK-IUBYCILNSA-N

Properties

• Density: 1.755g/cm³ (Cal.)
• Boiling point: 822.405°C at 760 mmHg (Cal.)
• Flash point: 451.174°C (Cal.)