N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R)-5-Acetamido-1,2,4-Trihydroxy-6-Oxohexan-3-Yl]Oxy-4-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-4-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
[CAS# 79127-58-5]

Identification

• Name: N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R)-5-Acetamido-1,2,4-Trihydroxy-6-Oxohexan-3-Yl]Oxy-4-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-4-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
• Synonyms: N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R)-5-Acetamido-1,2,4-Trihydroxy-6-Oxo-Hexan-3-Yl]Oxy-4-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-4-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Ethanamide; Hepta-N-Acetylchitoheptaose; (Glcnac)7
• Molecular Formula: C₅₆H₉₃N₇O₃₆
• Molecular Weight: 1440.38
• CAS Registry Number: 79127-58-5
• SMILES: [C@@H]6(O[C@@H]5[C@H](O[C@@H](O[C@@H]4[C@H](O[C@@H](O[C@@H]3[C@H](O[C@@H](O[C@@H]2[C@H](O[C@@H](O[C@@H]1[C@H](O[C@@H](O[C@@H]([C@@H]([C@H](C=O)NC(C)=O)O)[C@@H](CO)O)[C@H](NC(C)=O)[C@H]1O)CO)[C@H](NC(C)=O)[C@H]2O)CO)[C@H](NC(C)=O)[C@H]3O)CO)[C@H](NC(C)=O)[C@H]4O)CO)[C@H](NC(C)=O)[C@H]5O)CO)O[C@@H]([C@H]([C@@H]([C@H]6NC(C)=O)O)O)CO
• InChI: 1S/C56H93N7O36/c1-16(72)57-23(8-64)37(80)45(24(79)9-65)94-52-32(59-18(3)74)40(83)47(26(11-67)89-52)96-54-34(61-20(5)76)42(85)49(28(13-69)91-54)98-56-36(63-22(7)78)44(87)50(30(15-71)93-56)99-55-35(62-21(6)77)43(86)48(29(14-70)92-55)97-53-33(60-19(4)75)41(84)46(27(12-68)90-53)95-51-31(58-17(2)73)39(82)38(81)25(10-66)88-51/h8,23-56,65-71,79-87H,9-15H2,1-7H3,(H,57,72)(H,58,73)(H,59,74)(H,60,75)(H,61,76)(H,62,77)(H,63,78)/t23-,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-,53-,54-,55-,56-/m0/s1
• InChIKey: UKZKHAFAYSQVFL-MBGZTGDNSA-N

Properties

• Density: 1.616g/cm³ (Cal.)
• Boiling point: 1792.056°C at 760 mmHg (Cal.)
• Flash point: 1037.598°C (Cal.)