N-(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-beta-D-glucopyranosyl)-L-Asparagine
[CAS# 38784-68-8]

Identification

• Name: N-(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-beta-D-glucopyranosyl)-L-Asparagine
• Synonyms: (2S)-2-[[(2R,3R,4R,5S,6R)-3-Acetamido-4-[(2R,3R,4R,5S,6R)-3-Acetamido-5-Hydroxy-6-(Hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6-[[(2S,3S,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3,4-Bis[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxymethyl]-5-[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Amino]-4-Amino-4-Oxo-Butanoic Acid; (2S)-2-[[(2R,3R,4R,5S,6R)-3-Acetamido-4-[[(2R,3R,4R,5S,6R)-3-Acetamido-5-Hydroxy-6-(Hydroxymethyl)-4-[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-6-[[(2S,3S,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3,4-Bis[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxymethyl]-5-[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Amino]-4-Amino-4-Oxobutanoic Acid; (2S)-2-[[(2R,3R,4R,5S,6R)-3-Acetamido-4-[(2R,3R,4R,5S,6R)-3-Acetamido-5-Hydroxy-6-Methylol-4-[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6-[[(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]Oxymethyl]-5-[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Amino]-4-Amino-4-Keto-Butyric Acid
• Molecular Formula: C₅₀H₈₄N₄O₃₈
• Molecular Weight: 1349.22
• CAS Registry Number: 38784-68-8
• SMILES: [C@H](C(=O)O)(N[C@H]4[C@@H]([C@@H](O[C@H]2[C@@H]([C@@H](O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)[C@H](O)[C@H](O2)CO)NC(=O)C)[C@H](O[C@H]3[C@@H](O)[C@@H](O)[C@H](O)[C@H](O3)CO)[C@H](O4)CO[C@@H]7[C@@H](O[C@@H]5[C@@H](O)[C@@H](O)[C@H](O)[C@H](O5)CO)[C@@H](O[C@@H]6[C@@H](O)[C@@H](O)[C@H](O)[C@H](O6)CO)[C@H](O)[C@H](O7)CO)NC(=O)C)CC(=O)N
• InChI: 1S/C50H84N4O38/c1-11(61)52-22-40(90-45-23(53-12(2)62)39(28(68)18(8-59)82-45)89-47-35(75)31(71)25(65)15(5-56)84-47)38(88-46-34(74)30(70)24(64)14(4-55)83-46)20(81-43(22)54-13(44(78)79)3-21(51)63)10-80-50-42(92-49-37(77)33(73)27(67)17(7-58)86-49)41(29(69)19(9-60)87-50)91-48-36(76)32(72)26(66)16(6-57)85-48/h13-20,22-43,45-50,54-60,64-77H,3-10H2,1-2H3,(H2,51,63)(H,52,61)(H,53,62)(H,78,79)/t13-,14+,15+,16+,17+,18+,19+,20+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40+,41-,42-,43+,45-,46-,47+,48+,49+,50-/m0/s1
• InChIKey: OTVFIFRCJRIROQ-KDJOXRTNSA-N

Properties

• Density: 1.782g/cm³ (Cal.)
• Boiling point: 1631.741°C at 760 mmHg (Cal.)
• Flash point: 940.643°C (Cal.)