Etisomicin
[CAS# 70639-48-4]

Identification

• Name: Etisomicin
• Synonyms: (2S,3S,4S,5S)-2-[(1S,2S,3R,4S,6R)-4,6-Diamino-3-[[(2S,3R)-3-Amino-6-(Aminomethyl)-3,4-Dihydro-2H-Pyran-2-Yl]Oxy]-2-Hydroxy-Cyclohexoxy]-4-Ethylamino-5-Methyl-Tetrahydropyran-3,5-Diol; (2S,3S,4S,5S)-2-[(1S,2S,3R,4S,6R)-4,6-Diamino-3-[[(2S,3R)-3-Amino-6-(Aminomethyl)-3,4-Dihydro-2H-Pyran-2-Yl]Oxy]-2-Hydroxycyclohexoxy]-4-Ethylamino-5-Methyltetrahydropyran-3,5-Diol; (2S,3S,4S,5S)-2-[(1S,2S,3R,4S,6R)-4,6-Diamino-3-[[(2S,3R)-3-Amino-6-(Aminomethyl)-3,4-Dihydro-2H-Pyran-2-Yl]Oxy]-2-Hydroxy-Cyclohexyl]Oxy-4-Ethylamino-5-Methyl-Oxane-3,5-Diol
• Molecular Formula: C₂₀H₃₉N₅O₇
• Molecular Weight: 461.56
• CAS Registry Number: 70639-48-4
• SMILES: [C@@H]3(O[C@@H]1OC[C@@](O)([C@@H](NCC)[C@@H]1O)C)[C@@H](O)[C@H](O[C@H]2OC(=CC[C@H]2N)CN)[C@@H](N)C[C@H]3N
• InChI: 1S/C20H39N5O7/c1-3-25-17-14(27)19(29-8-20(17,2)28)32-16-12(24)6-11(23)15(13(16)26)31-18-10(22)5-4-9(7-21)30-18/h4,10-19,25-28H,3,5-8,21-24H2,1-2H3/t10-,11+,12-,13+,14+,15-,16+,17+,18-,19+,20-/m1/s1
• InChIKey: KOBHYGXJFZRQFP-XWXOKSHGSA-N

Properties

• Density: 1.362g/cm³ (Cal.)
• Boiling point: 682.826°C at 760 mmHg (Cal.)
• Flash point: 366.76°C (Cal.)