3-Aminopropyl N-[(1R,2S,3S,4R,5S)-5-Amino-2-[(2S,3R,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4-[(2S,3R,4S,5S,6R)-6-(Aminomethyl)-3,4,5-Trihydroxyoxan-2-Yl]Oxy-3-Hydroxycyclohexyl]Carbamate
[CAS# 77987-52-1]

Identification

• Name: 3-Aminopropyl N-[(1R,2S,3S,4R,5S)-5-Amino-2-[(2S,3R,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4-[(2S,3R,4S,5S,6R)-6-(Aminomethyl)-3,4,5-Trihydroxyoxan-2-Yl]Oxy-3-Hydroxycyclohexyl]Carbamate
• Synonyms: 3-Aminopropyl N-[(1R,2S,3S,4R,5S)-5-Amino-2-[(2S,3R,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4-[(2S,3R,4S,5S,6R)-6-(Aminomethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-3-Hydroxy-Cyclohexyl]Carbamate; N-[(1R,2S,3S,4R,5S)-5-Amino-2-[[(2S,3R,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-[[(2S,3R,4S,5S,6R)-6-(Aminomethyl)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-3-Hydroxycyclohexyl]Carbamic Acid 3-Aminopropyl Ester; N-[(1R,2S,3S,4R,5S)-5-Amino-2-[(2S,3R,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4-[(2S,3R,4S,5S,6R)-6-(Aminomethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-3-Hydroxy-Cyclohexyl]Carbamic Acid 3-Aminopropyl Ester
• Molecular Formula: C₂₂H₄₃N₅O₁₃
• Molecular Weight: 585.61
• CAS Registry Number: 77987-52-1
• SMILES: [C@@H]3(O[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1O)O[C@H]2O[C@@H]([C@@H](O)[C@H](N)[C@H]2O)CO)NC(OCCCN)=O)N)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CN
• InChI: 1S/C22H43N5O13/c23-2-1-3-36-22(35)27-8-4-7(25)18(39-21-16(33)15(32)13(30)9(5-24)37-21)17(34)19(8)40-20-14(31)11(26)12(29)10(6-28)38-20/h7-21,28-34H,1-6,23-26H2,(H,27,35)/t7-,8+,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,20+,21-/m0/s1
• InChIKey: ROQXNMABMHKEAF-CSZWFTGISA-N

Properties

• Density: 1.574g/cm³ (Cal.)
• Boiling point: 903.837°C at 760 mmHg (Cal.)
• Flash point: 500.422°C (Cal.)