4-Nitrophenyl O-beta-D-galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-3)-beta-D-galactopyranoside
[CAS# 124098-14-2]

Identification

• Name: 4-Nitrophenyl O-beta-D-galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-3)-beta-D-galactopyranoside
• Synonyms: N-[(2S,3R,4R,5S,6R)-5-Hydroxy-6-(Hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-(4-Nitrophenyl)Tetrahydropyran-2-Yl]Oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Acetamide; N-[(2S,3R,4R,5S,6R)-5-Hydroxy-6-(Hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-(4-Nitrophenyl)-2-Tetrahydropyranyl]Oxy]-4-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl]Acetamide; N-[(2S,3R,4R,5S,6R)-5-Hydroxy-6-Methylol-2-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-2-(4-Nitrophenyl)Tetrahydropyran-2-Yl]Oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₂₆H₃₈N₂O₁₈
• Molecular Weight: 666.59
• CAS Registry Number: 124098-14-2
• SMILES: [C@]3(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)[C@H]2NC(=O)C)CO)(O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)C4=CC=C([N+]([O-])=O)C=C4
• InChI: 1S/C26H38N2O18/c1-9(32)27-15-22(44-25-21(38)19(36)16(33)12(6-29)43-25)18(35)13(7-30)42-24(15)46-26(10-2-4-11(5-3-10)28(40)41)23(39)20(37)17(34)14(8-31)45-26/h2-5,12-25,29-31,33-39H,6-8H2,1H3,(H,27,32)/t12-,13-,14-,15-,16+,17+,18-,19+,20+,21-,22-,23-,24+,25+,26+/m1/s1
• InChIKey: PKKBZODRBKXRRW-YFJIGQAWSA-N

Properties

• Density: 1.725g/cm³ (Cal.)
• Boiling point: 1037.145°C at 760 mmHg (Cal.)
• Flash point: 581.044°C (Cal.)