(3aS)-2-[[2-[(Aminoacetyl)Methylamino]-4-O-Aminocarbonyl-2-Deoxy-beta-D-Glucopyranosyl]Amino]-1,3abeta,5,6,7,7aalpha-Hexahydro-7beta-Hydroxy-5-Methyl-4H-Imidazo[4,5-c]Pyridin-4-One
[CAS# 63663-79-6]

Identification

• Name: (3aS)-2-[[2-[(Aminoacetyl)Methylamino]-4-O-Aminocarbonyl-2-Deoxy-beta-D-Glucopyranosyl]Amino]-1,3abeta,5,6,7,7aalpha-Hexahydro-7beta-Hydroxy-5-Methyl-4H-Imidazo[4,5-c]Pyridin-4-One
• Synonyms: [(2R,3R,4S,5R,6R)-6-[[(3As,7R,7As)-7-Hydroxy-5-Methyl-4-Oxo-3A,6,7,7A-Tetrahydro-1H-Imidazo[4,5-C]Pyridin-2-Yl]Amino]-5-[(2-Aminoacetyl)-Methyl-Amino]-4-Hydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl] Carbamate; Carbamic Acid [(2R,3R,4S,5R,6R)-6-[[(3As,7R,7As)-7-Hydroxy-5-Methyl-4-Oxo-3A,6,7,7A-Tetrahydro-1H-Imidazo[4,5-C]Pyridin-2-Yl]Amino]-5-[(2-Amino-1-Oxoethyl)-Methylamino]-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl] Ester; Carbamic Acid [(2R,3R,4S,5R,6R)-6-[[(3As,7R,7As)-7-Hydroxy-4-Keto-5-Methyl-3A,6,7,7A-Tetrahydro-1H-Imidazo[4,5-C]Pyridin-2-Yl]Amino]-5-(Glycyl-Methyl-Amino)-4-Hydroxy-2-Methylol-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₁₇H₂₉N₇O₈
• Molecular Weight: 459.46
• CAS Registry Number: 63663-79-6
• SMILES: [C@@H]12C(N(C[C@H]([C@H]1NC(=N2)N[C@H]3[C@@H]([C@H](O)[C@@H](OC(=O)N)[C@H](O3)CO)N(C)C(=O)CN)O)C)=O
• InChI: 1S/C17H29N7O8/c1-23-4-6(26)9-10(15(23)29)21-17(20-9)22-14-11(24(2)8(27)3-18)12(28)13(32-16(19)30)7(5-25)31-14/h6-7,9-14,25-26,28H,3-5,18H2,1-2H3,(H2,19,30)(H2,20,21,22)/t6-,7-,9-,10+,11-,12+,13+,14-/m1/s1
• InChIKey: IGGCBWFVVFZDLU-HZSGZFBJSA-N

Properties

• Density: 1.878g/cm³ (Cal.)
• Boiling point: 844.345°C at 760 mmHg (Cal.)
• Flash point: 464.443°C (Cal.)