5''-Amino-3',5''-Dideoxybutirosin A
[CAS# 60679-64-3]

Identification

• Name: 5''-Amino-3',5''-Dideoxybutirosin A
• Synonyms: 4-Amino-N-[5-Amino-4-[3-Amino-6-(Aminomethyl)-5-Hydroxy-Tetrahydropyran-2-Yl]Oxy-3-[5-(Aminomethyl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Oxy-2-Hydroxy-Cyclohexyl]-2-Hydroxy-Butanamide; 4-Amino-N-[5-Amino-4-[[3-Amino-6-(Aminomethyl)-5-Hydroxy-2-Tetrahydropyranyl]Oxy]-3-[[5-(Aminomethyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Oxy]-2-Hydroxycyclohexyl]-2-Hydroxybutanamide; 4-Amino-N-[5-Amino-4-[3-Amino-6-(Aminomethyl)-5-Hydroxy-Tetrahydropyran-2-Yl]Oxy-3-[5-(Aminomethyl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Oxy-2-Hydroxy-Cyclohexyl]-2-Hydroxy-Butyramide
• Molecular Formula: C₂₁H₄₂N₆O₁₀
• Molecular Weight: 538.60
• CAS Registry Number: 60679-64-3
• SMILES: C(C3C(CC(C(OC1C(CC(C(C1OC2C(C(C(O2)CN)O)O)O)NC(C(CCN)O)=O)N)O3)N)O)N
• InChI: 1S/C21H42N6O10/c22-2-1-10(28)19(33)27-9-3-7(25)17(36-20-8(26)4-11(29)12(5-23)34-20)18(14(9)30)37-21-16(32)15(31)13(6-24)35-21/h7-18,20-21,28-32H,1-6,22-26H2,(H,27,33)
• InChIKey: HQYKYIAROCMYCT-UHFFFAOYSA-N

Properties

• Density: 1.503g/cm³ (Cal.)
• Boiling point: 902.161°C at 760 mmHg (Cal.)
• Flash point: 499.409°C (Cal.)