(3S)-3,6-Diamino-N-[(2S,3R)-2-[(1R,2S,3S,4S,5S,6R)-2-Amino-3,6-Dihydroxy-4-Methoxy-5-Methylaminocyclohexyl]Oxy-6-(Aminomethyl)-3,4-Dihydro-2H-Pyran-3-Yl]Hexanamide
[CAS# 79528-70-4]

Identification

• Name: (3S)-3,6-Diamino-N-[(2S,3R)-2-[(1R,2S,3S,4S,5S,6R)-2-Amino-3,6-Dihydroxy-4-Methoxy-5-Methylaminocyclohexyl]Oxy-6-(Aminomethyl)-3,4-Dihydro-2H-Pyran-3-Yl]Hexanamide
• Synonyms: (3S)-3,6-Diamino-N-[(2S,3R)-2-[(1R,2S,3S,4S,5S,6R)-2-Amino-3,6-Dihydroxy-4-Methoxy-5-Methylamino-Cyclohexoxy]-6-(Aminomethyl)-3,4-Dihydro-2H-Pyran-3-Yl]Hexanamide; (3S)-3,6-Diamino-N-[(2S,3R)-2-[(1R,2S,3S,4S,5S,6R)-2-Amino-3,6-Dihydroxy-4-Methoxy-5-Methylaminocyclohexoxy]-6-(Aminomethyl)-3,4-Dihydro-2H-Pyran-3-Yl]Hexanamide; (3S)-3,6-Diamino-N-[(2S,3R)-2-[(1R,2S,3S,4S,5S,6R)-2-Amino-3,6-Dihydroxy-4-Methoxy-5-Methylamino-Cyclohexyl]Oxy-6-(Aminomethyl)-3,4-Dihydro-2H-Pyran-3-Yl]Hexanamide
• Molecular Formula: C₂₀H₄₀N₆O₆
• Molecular Weight: 460.57
• CAS Registry Number: 79528-70-4
• SMILES: [C@H]2(O[C@H]1[C@H](O)[C@H](NC)[C@H](OC)[C@@H](O)[C@@H]1N)OC(=CC[C@H]2NC(=O)C[C@@H](N)CCCN)CN
• InChI: 1S/C20H40N6O6/c1-25-15-17(29)18(14(24)16(28)19(15)30-2)32-20-12(6-5-11(9-22)31-20)26-13(27)8-10(23)4-3-7-21/h5,10,12,14-20,25,28-29H,3-4,6-9,21-24H2,1-2H3,(H,26,27)/t10-,12+,14-,15-,16-,17+,18+,19-,20+/m0/s1
• InChIKey: WTENXKAJCSHCNH-QJSCRMMJSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 736.924°C at 760 mmHg (Cal.)
• Flash point: 399.478°C (Cal.)