(2S)-4-Amino-N-[(1R,2R,3R,4R,5S)-3,5-Diamino-4-[(2R,3R,6S)-3-Amino-6-(Aminomethyl)Oxan-2-Yl]Oxy-2-[(2S,3R,4R,5S,6R)-3,4-Diamino-5-Hydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxycyclohexyl]-2-Hydroxybutanamide
[CAS# 161822-04-4]

Identification

• Name: (2S)-4-Amino-N-[(1R,2R,3R,4R,5S)-3,5-Diamino-4-[(2R,3R,6S)-3-Amino-6-(Aminomethyl)Oxan-2-Yl]Oxy-2-[(2S,3R,4R,5S,6R)-3,4-Diamino-5-Hydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxycyclohexyl]-2-Hydroxybutanamide
• Synonyms: (2S)-4-Amino-N-[(1R,2R,3R,4R,5S)-3,5-Diamino-4-[(2R,3R,6S)-3-Amino-6-(Aminomethyl)Tetrahydropyran-2-Yl]Oxy-2-[(2S,3R,4R,5S,6R)-3,4-Diamino-5-Hydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Cyclohexyl]-2-Hydroxy-Butanamide; (2S)-4-Amino-N-[(1R,2R,3R,4R,5S)-3,5-Diamino-4-[[(2R,3R,6S)-3-Amino-6-(Aminomethyl)-2-Tetrahydropyranyl]Oxy]-2-[[(2S,3R,4R,5S,6R)-3,4-Diamino-5-Hydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Cyclohexyl]-2-Hydroxybutanamide; (2S)-4-Amino-N-[(1R,2R,3R,4R,5S)-3,5-Diamino-4-[(2R,3R,6S)-3-Amino-6-(Aminomethyl)Tetrahydropyran-2-Yl]Oxy-2-[(2S,3R,4R,5S,6R)-3,4-Diamino-5-Hydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Cyclohexyl]-2-Hydroxy-Butyramide
• Molecular Formula: C₂₂H₄₆N₈O₈
• Molecular Weight: 550.65
• CAS Registry Number: 161822-04-4
• SMILES: [C@@H]3(O[C@H]1O[C@@H]([C@@H](O)[C@H](N)[C@H]1N)CO)[C@H](N)[C@H](O[C@H]2O[C@@H](CC[C@H]2N)CN)[C@@H](N)C[C@H]3NC(=O)[C@@H](O)CCN
• InChI: 1S/C22H46N8O8/c23-4-3-12(32)20(34)30-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)16(29)19(11)38-22-15(28)14(27)17(33)13(7-31)36-22/h8-19,21-22,31-33H,1-7,23-29H2,(H,30,34)/t8-,9+,10-,11+,12-,13+,14+,15+,16+,17+,18+,19-,21+,22+/m0/s1
• InChIKey: PAKWQYUBENHHPC-HHGWMMPQSA-N

Properties

• Density: 1.423g/cm³ (Cal.)
• Boiling point: 863.615°C at 760 mmHg (Cal.)
• Flash point: 476.097°C (Cal.)