2-Amino-N-[(1S,2R,3R,4S,6S)-4-Amino-3-[(2R,3R,6S)-3-Amino-6-(Methylaminomethyl)Oxan-2-Yl]Oxy-2-Hydroxy-6-Methoxycyclohexyl]-N-Methylacetamide
[CAS# 72503-79-8]

Identification

• Name: 2-Amino-N-[(1S,2R,3R,4S,6S)-4-Amino-3-[(2R,3R,6S)-3-Amino-6-(Methylaminomethyl)Oxan-2-Yl]Oxy-2-Hydroxy-6-Methoxycyclohexyl]-N-Methylacetamide
• Synonyms: 2-Amino-N-[(1S,2R,3R,4S,6S)-4-Amino-3-[(2R,3R,6S)-3-Amino-6-(Methylaminomethyl)Tetrahydropyran-2-Yl]Oxy-2-Hydroxy-6-Methoxy-Cyclohexyl]-N-Methyl-Acetamide; 2-Amino-N-[(1S,2R,3R,4S,6S)-4-Amino-3-[[(2R,3R,6S)-3-Amino-6-(Methylaminomethyl)-2-Tetrahydropyranyl]Oxy]-2-Hydroxy-6-Methoxycyclohexyl]-N-Methylacetamide; 2-Amino-N-[(1S,2R,3R,4S,6S)-4-Amino-3-[(2R,3R,6S)-3-Amino-6-(Methylaminomethyl)Oxan-2-Yl]Oxy-2-Hydroxy-6-Methoxy-Cyclohexyl]-N-Methyl-Ethanamide
• Molecular Formula: C₁₇H₃₅N₅O₅
• Molecular Weight: 389.49
• CAS Registry Number: 72503-79-8
• SMILES: [C@H]1([C@H](C[C@@H]([C@H]([C@H]1O)N(C)C(CN)=O)OC)N)O[C@H]2O[C@@H](CC[C@H]2N)CNC
• InChI: 1S/C17H35N5O5/c1-21-8-9-4-5-10(19)17(26-9)27-16-11(20)6-12(25-3)14(15(16)24)22(2)13(23)7-18/h9-12,14-17,21,24H,4-8,18-20H2,1-3H3/t9-,10+,11-,12-,14+,15+,16+,17+/m0/s1
• InChIKey: NEFDRWXEVITQMN-JWYRXTSNSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 571.507°C at 760 mmHg (Cal.)
• Flash point: 299.437°C (Cal.)