4-Nitrophenyl-O-(6-O-Benzyl)-Glucopyranosyl(1--4)-O-Glucopyranosyl(1--4)-O-Glucopyranosyl(1--4)-O-Glucopyranosyl(1--4)-Glucopyranoside
[CAS# 115850-12-9]

Identification

• Name: 4-Nitrophenyl-O-(6-O-Benzyl)-Glucopyranosyl(1--4)-O-Glucopyranosyl(1--4)-O-Glucopyranosyl(1--4)-O-Glucopyranosyl(1--4)-Glucopyranoside
• Synonyms: (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-6-(Hydroxymethyl)-2-(4-Nitrophenyl)-2,4-Bis[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy]-5-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Phenylmethoxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-3,4,5-Triol; (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-[[(2R,3R,4S,5R,6R)-6-(Hydroxymethyl)-2-(4-Nitrophenyl)-2,4-Bis[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-5-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Phenylmethoxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl]Oxy]Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5S,6R)-6-(Benzyloxymethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-6-Methylol-2-(4-Nitrophenyl)-2,4-Bis[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy]Tetrahydropyran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₄₃H₆₁NO₂₈
• Molecular Weight: 1039.94
• CAS Registry Number: 115850-12-9
• SMILES: [C@]4(O[C@@H]([C@@H](O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COCC2=CC=CC=C2)[C@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)[C@H]4O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO)(O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C7=CC=C([N+]([O-])=O)C=C7
• InChI: 1S/C43H61NO28/c45-10-19-24(49)28(53)32(57)39(64-19)69-37-36(68-40-33(58)31(56)27(52)23(67-40)15-63-14-16-4-2-1-3-5-16)22(13-48)71-43(17-6-8-18(9-7-17)44(61)62,72-42-35(60)30(55)26(51)21(12-47)66-42)38(37)70-41-34(59)29(54)25(50)20(11-46)65-41/h1-9,19-42,45-60H,10-15H2/t19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34-,35-,36-,37+,38-,39-,40-,41-,42-,43-/m1/s1
• InChIKey: GJASCJZEBANVKX-CQZBUOJGSA-N

Properties

• Density: 1.744g/cm³ (Cal.)
• Boiling point: 1242.74°C at 760 mmHg (Cal.)
• Flash point: 705.384°C (Cal.)