N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-6-[2-[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]-2-Hydroxyethyl]-4,5-Dihydroxyoxan-3-Yl]-13-Methyltetradecanamide
[CAS# 76544-50-8]

Identification

• Name: N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-6-[2-[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]-2-Hydroxyethyl]-4,5-Dihydroxyoxan-3-Yl]-13-Methyltetradecanamide
• Synonyms: N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-6-[2-[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-2-Hydroxy-Ethyl]-4,5-Dihydroxy-Tetrahydropyran-3-Yl]-13-Methyl-Tetradecanamide; N-[(2S,3R,4R,5R,6R)-2-[[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-6-[2-[(2R,3S,4R,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]-2-Hydroxyethyl]-4,5-Dihydroxy-3-Tetrahydropyranyl]-13-Methyltetradecanamide; N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-6-[2-[(2R,3S,4R,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-2-Hydroxy-Ethyl]-4,5-Dihydroxy-Tetrahydropyran-3-Yl]-13-Methyl-Myristamide
• Molecular Formula: C₃₈H₆₄N₄O₁₆
• Molecular Weight: 832.94
• CAS Registry Number: 76544-50-8
• SMILES: [C@@H]2(O[C@@H](N1C(=O)NC(=O)C=C1)[C@H](O)[C@@H]2O)C(O)C[C@H]4O[C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO)[C@H](NC(=O)CCCCCCCCCCCC(C)C)[C@@H](O)[C@H]4O
• InChI: 1S/C38H64N4O16/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h15-16,19,21-23,26-37,43,45,48-53H,4-14,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/t21?,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36+,37+/m1/s1
• InChIKey: XAFNQFHOQPRGAK-BJLDJXKVSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)