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-(Hydroxymethyl)Oxan-2-Yl]Oxy-3-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Oxy-N-[3-[4-(4-Aminobutylamino)Butylamino]Propyl]Benzamide
[CAS# 78213-54-4]

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-(Hydroxymethyl)Oxan-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-(Hydroxymethyl)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-(Hydroxymethyl)-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-Methylol-Tetrahydropyran-2-Yl]Oxy-3-Hydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Oxy-N-[3-[4-(4-Aminobutylamino)Butylamino]Propyl]Benzamide
• Molecular Formula: C₄₄H₇₇N₇O₁₉
• Molecular Weight: 1008.13
• CAS Registry Number: 78213-54-4
• SMILES: C5=C(OC4OC(C(OC1C(C(C(O)C(O1)CO)OC3C(C(C(OC2C(C(C(C(O2)C)N)O)NC(C(C)N)=O)C(O3)CO)O)O)O)C4O)CO)C=CC(=C5)C(=O)NCCCNCCCCNCCCCN
• InChI: 1S/C44H77N7O19/c1-21(46)39(61)51-29-31(56)28(47)22(2)63-41(29)68-36-26(19-53)66-42(33(58)32(36)57)70-38-30(55)25(18-52)65-44(35(38)60)69-37-27(20-54)67-43(34(37)59)64-24-10-8-23(9-11-24)40(62)50-17-7-16-49-15-6-5-14-48-13-4-3-12-45/h8-11,21-22,25-38,41-44,48-49,52-60H,3-7,12-20,45-47H2,1-2H3,(H,50,62)(H,51,61)
• InChIKey: RHNHFMNAFLYIKD-UHFFFAOYSA-N

Properties

• Density: 1.447g/cm³ (Cal.)
• Boiling point: 1244.264°C at 760 mmHg (Cal.)
• Flash point: 706.305°C (Cal.)