4-[4-[4-[5-[5-Amino-3-(2-Aminopropanoylamino)-4-Hydroxy-6-Methyloxan-2-Yl]Oxy-3,4-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-3,5-Dihydroxy-6-Methylideneoxan-2-Yl]Oxy-3-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Oxy-N-[3-[4-(4-Aminobutylamino)Butylamino]Propyl]Benzamide
[CAS# 78213-56-6]

Identification

• Name: 4-[4-[4-[5-[5-Amino-3-(2-Aminopropanoylamino)-4-Hydroxy-6-Methyloxan-2-Yl]Oxy-3,4-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-3,5-Dihydroxy-6-Methylideneoxan-2-Yl]Oxy-3-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Oxy-N-[3-[4-(4-Aminobutylamino)Butylamino]Propyl]Benzamide
• Synonyms: 4-[4-[4-[5-[5-Amino-3-(2-Aminopropanoylamino)-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-3,4-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3,5-Dihydroxy-6-Methylene-Tetrahydropyran-2-Yl]Oxy-3-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxy-N-[3-[4-(4-Aminobutylamino)Butylamino]Propyl]Benzamide; 4-[[4-[[4-[[5-[[5-Amino-3-[(2-Amino-1-Oxopropyl)Amino]-4-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-3,4-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3,5-Dihydroxy-6-Methylene-2-Tetrahydropyranyl]Oxy]-3-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxy]-N-[3-[4-(4-Aminobutylamino)Butylamino]Propyl]Benzamide; 4-[4-[4-[5-[3-(Alanylamino)-5-Amino-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-3,4-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-3,5-Dihydroxy-6-Methylene-Tetrahydropyran-2-Yl]Oxy-3-Hydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Oxy-N-[3-[4-(4-Aminobutylamino)Butylamino]Propyl]Benzamide
• Molecular Formula: C₄₄H₇₅N₇O₁₈
• Molecular Weight: 990.11
• CAS Registry Number: 78213-56-6
• SMILES: C5=C(OC4OC(C(OC3C(C(OC2C(C(C(OC1C(C(C(C(O1)C)N)O)NC(C(C)N)=O)C(O2)CO)O)O)C(C(O3)=C)O)O)C4O)CO)C=CC(=C5)C(NCCCNCCCCNCCCCN)=O
• InChI: 1S/C44H75N7O18/c1-21(46)39(60)51-29-31(55)28(47)22(2)62-41(29)67-36-26(19-52)65-42(33(57)32(36)56)69-38-30(54)23(3)63-43(35(38)59)68-37-27(20-53)66-44(34(37)58)64-25-11-9-24(10-12-25)40(61)50-18-8-17-49-16-7-6-15-48-14-5-4-13-45/h9-12,21-22,26-38,41-44,48-49,52-59H,3-8,13-20,45-47H2,1-2H3,(H,50,61)(H,51,60)
• InChIKey: POXHWKVMCKMHBX-UHFFFAOYSA-N

Properties

• Density: 1.427g/cm³ (Cal.)
• Boiling point: 1219.696°C at 760 mmHg (Cal.)
• Flash point: 691.447°C (Cal.)