(E)-3-[4-[(5Z)-3,4-Dihydroxy-5-[2-(3-Hydroxy-4,5-Dimethoxy-6-Methyloxan-2-Yl)Oxy-1-Methoxyethylidene]Oxolan-2-Yl]Oxyphenyl]-N-[5-(6-Dimethylaminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl]-2-Methylprop-2-Enamide
[CAS# 37305-78-5]

Identification

• Name: (E)-3-[4-[(5Z)-3,4-Dihydroxy-5-[2-(3-Hydroxy-4,5-Dimethoxy-6-Methyloxan-2-Yl)Oxy-1-Methoxyethylidene]Oxolan-2-Yl]Oxyphenyl]-N-[5-(6-Dimethylaminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl]-2-Methylprop-2-Enamide
• Synonyms: (E)-3-[4-[(5Z)-3,4-Dihydroxy-5-[2-(3-Hydroxy-4,5-Dimethoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-1-Methoxy-Ethylidene]Tetrahydrofuran-2-Yl]Oxyphenyl]-N-[5-(6-Dimethylaminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]-2-Methyl-Prop-2-Enamide; (E)-3-[4-[[(5Z)-3,4-Dihydroxy-5-[2-[(3-Hydroxy-4,5-Dimethoxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-1-Methoxyethylidene]-2-Tetrahydrofuranyl]Oxy]Phenyl]-N-[5-(6-Dimethylamino-9-Purinyl)-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydrofuranyl]-2-Methylprop-2-Enamide; (E)-3-[4-[(5Z)-3,4-Dihydroxy-5-[2-(3-Hydroxy-4,5-Dimethoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-1-Methoxy-Ethylidene]Tetrahydrofuran-2-Yl]Oxyphenyl]-N-[5-(6-Dimethylaminopurin-9-Yl)-4-Hydroxy-2-Methylol-Tetrahydrofuran-3-Yl]-2-Methyl-Acrylamide
• Molecular Formula: C₃₇H₅₀N₆O₁₄
• Molecular Weight: 802.83
• CAS Registry Number: 37305-78-5
• SMILES: C1=NC6=C([N]1C5OC(C(NC(=O)C(=C/C4=CC=C(OC2OC(/C(O)C2O)=C(OC)/COC3OC(C(OC)C(OC)C3O)C)C=C4)/C)C5O)CO)N=CN=C6N(C)C
• InChI: 1S/C37H50N6O14/c1-17(34(49)41-23-21(13-44)56-35(25(23)45)43-16-40-24-32(42(3)4)38-15-39-33(24)43)12-19-8-10-20(11-9-19)55-37-27(47)26(46)30(57-37)22(50-5)14-53-36-28(48)31(52-7)29(51-6)18(2)54-36/h8-12,15-16,18,21,23,25-29,31,35-37,44-48H,13-14H2,1-7H3,(H,41,49)/b17-12+,30-22-
• InChIKey: HELPZWNRUYNCJQ-QWJSOBSRSA-N

Properties

• Density: 1.529g/cm³ (Cal.)