4-Nitrophenyl-(alpha)-Mannopyranoside 6-(alpha-Glucopyranosyl Phosphate)
[CAS# 101455-34-9]

Identification

• Name: 4-Nitrophenyl-(alpha)-Mannopyranoside 6-(alpha-Glucopyranosyl Phosphate)
• Synonyms: (4-Nitrophenyl) [(2R,3S,4S,5S,6S)-3,4,5,6-Tetrahydroxytetrahydropyran-2-Yl]Methyl [(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] Phosphate; Phosphoric Acid (4-Nitrophenyl) [(2R,3S,4S,5S,6S)-3,4,5,6-Tetrahydroxy-2-Tetrahydropyranyl]Methyl [(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl] Ester; Phosphoric Acid (4-Nitrophenyl) [(2R,3S,4S,5S,6S)-3,4,5,6-Tetrahydroxytetrahydropyran-2-Yl]Methyl [(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl] Ester
• Molecular Formula: C₁₈H₂₆NO₁₆P
• Molecular Weight: 543.37
• CAS Registry Number: 101455-34-9
• SMILES: [C@H]3(O[P](OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O)(OC2=CC=C([N+]([O-])=O)C=C2)=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
• InChI: 1S/C18H26NO16P/c20-5-9-11(21)14(24)16(26)18(33-9)35-36(30,34-8-3-1-7(2-4-8)19(28)29)31-6-10-12(22)13(23)15(25)17(27)32-10/h1-4,9-18,20-27H,5-6H2/t9-,10-,11-,12-,13+,14+,15+,16-,17+,18-,36?/m1/s1
• InChIKey: PGZPRDNCUIALAO-PVIAXDFPSA-N

Properties

• Density: 1.807g/cm³ (Cal.)
• Boiling point: 790.007°C at 760 mmHg (Cal.)
• Flash point: 431.581°C (Cal.)