N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-Acetamido-4-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-1-[(2S,3S,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3,4-Bis[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy]Oxan-2-Yl]Oxy-6-Oxo-2-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyhexan-3-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
[CAS# 78392-29-7]

Identification

• Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-Acetamido-4-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-1-[(2S,3S,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3,4-Bis[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy]Oxan-2-Yl]Oxy-6-Oxo-2-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyhexan-3-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
• Synonyms: N-[(2S,3R,4R,5S,6R)-2-[(1S,2R,3R)-3-Acetamido-2-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-Methylol-3-[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-1-[(1R)-2-[(2S,3S,4S,5R,6R)-5-Hydroxy-6-Methylol-3,4-Bis[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxy-1-[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Ethyl]-4-Keto-Butoxy]-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-3-Yl]Acetamide; N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-Acetamido-4-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-Oxan-2-Yl]Oxy-1-[(2S,3S,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3,4-Bis[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy]Oxan-2-Yl]Oxy-6-Oxo-2-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-Hexan-3-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Ethanamide; D-Glucose, O-Alpha-D-Mannopyranosyl-(1-3)-O-(O-Alpha-D-Mannopyranosyl-(1-3)-O-(Alpha-D-Mannopyranosyl-(1-6))-Alpha-D-Mannopyranosyl-(1-6))-O-Beta-D-Mannopyranosyl-(1-4)-O-2-(Acetylamino)-2-Deoxy-Beta-D-Glucopyranosyl-(1-4)-2-(Acetylamino)-2-Deoxy-, Mono-O-Alpha-D-Mannopyranoside
• Molecular Formula: C₅₂H₈₈N₂O₄₁
• Molecular Weight: 1397.26
• CAS Registry Number: 78392-29-7
• SMILES: [C@H]3(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)CO)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO)[C@H](O)[C@H](O[C@@H]3OC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O)CO)[C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5NC(=O)C)CO)[C@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O)CO)CO)[C@@H](NC(=O)C)C=O)CO
• InChI: 1S/C52H88N2O41/c1-12(63)53-14(3-55)41(91-52-44(36(77)29(70)20(9-61)89-52)94-49-39(80)34(75)27(68)18(7-59)86-49)42(92-46-23(54-13(2)64)31(72)24(65)15(4-56)83-46)22(90-47-37(78)32(73)25(66)16(5-57)84-47)11-82-51-45(95-50-40(81)35(76)28(69)19(8-60)87-50)43(30(71)21(10-62)88-51)93-48-38(79)33(74)26(67)17(6-58)85-48/h3,14-52,56-62,65-81H,4-11H2,1-2H3,(H,53,63)(H,54,64)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44-,45-,46-,47-,48+,49+,50+,51-,52+/m0/s1
• InChIKey: VPIVRJRKMYZSTI-NTWLUMNRSA-N

Properties

• Density: 1.79g/cm³ (Cal.)
• Boiling point: 1698.334°C at 760 mmHg (Cal.)
• Flash point: 980.917°C (Cal.)