(1S,2S,3R,4S,6R)-4,6-Diamino-3-{[(5R)-2-amino-2-deoxy-5-(1-hydroxyethyl)-alpha-D-xylopyranosyl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside
[CAS# 49863-47-0]

Identification

• Name: (1S,2S,3R,4S,6R)-4,6-Diamino-3-{[(5R)-2-amino-2-deoxy-5-(1-hydroxyethyl)-alpha-D-xylopyranosyl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside
• Synonyms: (2R,3S,4R,5R,6S)-5-Amino-6-[(1R,2S,3S,4R,6S)-4,6-Diamino-3-[(2R,3R,4R,5R)-3,5-Dihydroxy-5-Methyl-4-Methylamino-Tetrahydropyran-2-Yl]Oxy-2-Hydroxy-Cyclohexoxy]-2-(1-Hydroxyethyl)Tetrahydropyran-3,4-Diol; (2R,3S,4R,5R,6S)-5-Amino-6-[(1R,2S,3S,4R,6S)-4,6-Diamino-3-[[(2R,3R,4R,5R)-3,5-Dihydroxy-5-Methyl-4-Methylamino-2-Tetrahydropyranyl]Oxy]-2-Hydroxycyclohexoxy]-2-(1-Hydroxyethyl)Tetrahydropyran-3,4-Diol; (2R,3S,4R,5R,6S)-5-Amino-6-[(1R,2S,3S,4R,6S)-4,6-Diamino-3-[(2R,3R,4R,5R)-3,5-Dihydroxy-5-Methyl-4-Methylamino-Oxan-2-Yl]Oxy-2-Hydroxy-Cyclohexyl]Oxy-2-(1-Hydroxyethyl)Oxane-3,4-Diol
• Molecular Formula: C₂₀H₄₀N₄O₁₀
• Molecular Weight: 496.56
• CAS Registry Number: 49863-47-0
• SMILES: [C@@H]1(O[C@@H]([C@H]([C@@H]([C@H]1N)O)O)[C@H](O)C)O[C@H]3[C@@H]([C@@H](O[C@@H]2[C@@H]([C@H]([C@](CO2)(O)C)NC)O)[C@@H](C[C@@H]3N)N)O
• InChI: 1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1
• InChIKey: BRZYSWJRSDMWLG-DJWUNRQOSA-N

Properties

• Density: 1.476g/cm³ (Cal.)
• Boiling point: 760.315°C at 760 mmHg (Cal.)
• Flash point: 413.623°C (Cal.)