Mannosyl(9)-N-Acetylglucosamine
[CAS# 70158-33-7]

Identification

• Name: Mannosyl(9)-N-Acetylglucosamine
• Synonyms: N-[(1R,2R,3S,4R)-5-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-1-Formyl-2,3-Bis[[(2R,3S,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3,4-Bis[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxy]-4-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Pentyl]Acetamide; N-[(1R,2R,3S,4R)-5-[[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-1-Formyl-2,3-Bis[[(2R,3S,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3,4-Bis[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-4-[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Pentyl]Acetamide; N-[(1R,2R,3S,4R)-5-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-Methylol-3-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-1-Formyl-2,3-Bis[[(2R,3S,4S,5R,6R)-5-Hydroxy-6-Methylol-3,4-Bis[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxy]-4-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Pentyl]Acetamide
• Molecular Formula: C₆₂H₁₀₅NO₅₁
• Molecular Weight: 1680.49
• CAS Registry Number: 70158-33-7
• SMILES: [C@H](C=O)([C@@H](O[C@H]3[C@@H](O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@H](O)[C@H](O3)CO)[C@H](O[C@@H]6[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)[C@H](O)[C@H](O4)CO)[C@@H](O[C@@H]5[C@@H](O)[C@@H](O)[C@H](O)[C@H](O5)CO)[C@H](O)[C@H](O6)CO)[C@H](O[C@@H]7[C@@H](O)[C@@H](O)[C@H](O)[C@H](O7)CO)CO[C@@H]9[C@@H](O[C@@H]8[C@@H](O)[C@@H](O)[C@H](O)[C@H](O8)CO)[C@@H](O)[C@H](O)[C@H](O9)CO)NC(=O)C
• InChI: 1S/C62H105NO51/c1-13(74)63-14(2-64)47(108-61-52(113-58-45(95)38(88)29(79)19(7-69)102-58)49(32(82)22(10-72)105-61)110-55-42(92)35(85)26(76)16(4-66)99-55)48(109-62-53(114-59-46(96)39(89)30(80)20(8-70)103-59)50(33(83)23(11-73)106-62)111-56-43(93)36(86)27(77)17(5-67)100-56)24(107-54-41(91)34(84)25(75)15(3-65)98-54)12-97-60-51(40(90)31(81)21(9-71)104-60)112-57-44(94)37(87)28(78)18(6-68)101-57/h2,14-62,65-73,75-96H,3-12H2,1H3,(H,63,74)/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-,53-,54+,55+,56+,57+,58+,59+,60-,61-,62+/m0/s1
• InChIKey: ITFSNTMIZQUALH-BYBYOKTNSA-N

Properties

• Density: 1.854g/cm³ (Cal.)