Mannosyl-(1-4)-N-Acetylglucosaminyl-(1-N)-Urea
[CAS# 119059-62-0]

Identification

• Name: Mannosyl-(1-4)-N-Acetylglucosaminyl-(1-N)-Urea
• Synonyms: N-[(2R,3R,4R,5S,6R)-4-Hydroxy-6-(Hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-2-Ureido-Tetrahydropyran-3-Yl]Acetamide; N-[(2R,3R,4R,5S,6R)-4-Hydroxy-6-(Hydroxymethyl)-5-[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Ureido-3-Tetrahydropyranyl]Acetamide; N-[(2R,3R,4R,5S,6R)-4-Hydroxy-6-Methylol-5-[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2-Ureido-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₁₅H₂₇N₃O₁₁
• Molecular Weight: 425.39
• CAS Registry Number: 119059-62-0
• SMILES: [C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1NC(=O)C)O)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)NC(N)=O
• InChI: 1S/C15H27N3O11/c1-4(21)17-7-9(23)12(6(3-20)27-13(7)18-15(16)26)29-14-11(25)10(24)8(22)5(2-19)28-14/h5-14,19-20,22-25H,2-3H2,1H3,(H,17,21)(H3,16,18,26)/t5-,6-,7-,8-,9-,10+,11+,12-,13-,14+/m1/s1
• InChIKey: KBEQFGRCZSCJHH-JVHZDDNZSA-N

Properties

• Density: 1.637g/cm³ (Cal.)
• Boiling point: 835.264°C at 760 mmHg (Cal.)
• Flash point: 458.951°C (Cal.)