2,2'-[4-({3-C-(Aminomethyl)-5-Deoxy-2-O-[2-Deoxy-2-(Methylamino)Hexopyranosyl]Pentofuranosyl}Oxy)-2,5,6-Trihydroxy-1,3-Cyclohexanediyl]Diguanidine
[CAS# 31104-95-7]

Identification

• Name: 2,2'-[4-({3-C-(Aminomethyl)-5-Deoxy-2-O-[2-Deoxy-2-(Methylamino)Hexopyranosyl]Pentofuranosyl}Oxy)-2,5,6-Trihydroxy-1,3-Cyclohexanediyl]Diguanidine
• Synonyms: 2,2'-[4-({3-c-(aminomethyl)-5-deoxy-2-o-[2-deoxy-2-(methylamino)hexopyranosyl]pentofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine; Streptomycylamine
• Molecular Formula: C₂₁H₄₂N₈O₁₁
• Molecular Weight: 582.61
• CAS Registry Number: 31104-95-7
• SMILES: O(C2C(OC1C(/N=C(\N)N)C(O)C(/N=C(\N)N)C(O)C1O)OC(C)C2(O)CN)C3OC(C(O)C(O)C3NC)CO
• InChI: 1S/C21H42N8O11/c1-5-21(36,4-22)16(40-17-9(27-2)13(34)10(31)6(3-30)38-17)18(37-5)39-15-8(29-20(25)26)11(32)7(28-19(23)24)12(33)14(15)35/h5-18,27,30-36H,3-4,22H2,1-2H3,(H4,23,24,28)(H4,25,26,29)
• InChIKey: WXGWFKFUFMJVQM-UHFFFAOYSA-N

Properties

• Density: 1.989g/cm³ (Cal.)
• Boiling point: 940.525°C at 760 mmHg (Cal.)
• Flash point: 522.611°C (Cal.)