N-[1-[(2S,4S,5R,6S)-5-[(2R,3R,4S,5S,6R)-5-Dimethylamino-3,4-Dihydroxy-6-Methyloxan-2-Yl]Oxy-4-Hydroxy-6-Methyloxan-2-Yl]-2-Oxopyrimidin-4-Yl]-4-Methylaminobenzamide
[CAS# 157878-03-0]

Identification

• Name: N-[1-[(2S,4S,5R,6S)-5-[(2R,3R,4S,5S,6R)-5-Dimethylamino-3,4-Dihydroxy-6-Methyloxan-2-Yl]Oxy-4-Hydroxy-6-Methyloxan-2-Yl]-2-Oxopyrimidin-4-Yl]-4-Methylaminobenzamide
• Synonyms: N-[1-[(2S,4S,5R,6S)-5-[(2R,3R,4S,5S,6R)-5-Dimethylamino-3,4-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]-2-Oxo-Pyrimidin-4-Yl]-4-Methylamino-Benzamide; N-[1-[(2S,4S,5R,6S)-5-[[(2R,3R,4S,5S,6R)-5-Dimethylamino-3,4-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-Methyl-2-Tetrahydropyranyl]-2-Oxo-4-Pyrimidinyl]-4-Methylaminobenzamide; N-[1-[(2S,4S,5R,6S)-5-[(2R,3R,4S,5S,6R)-5-Dimethylamino-3,4-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]-2-Keto-Pyrimidin-4-Yl]-4-Methylamino-Benzamide
• Molecular Formula: C₂₆H₃₇N₅O₈
• Molecular Weight: 547.61
• CAS Registry Number: 157878-03-0
• SMILES: [C@H]4(O[C@H]3[C@@H](O[C@H](N2C(=O)N=C(NC(=O)C1=CC=C(NC)C=C1)C=C2)C[C@@H]3O)C)O[C@@H]([C@@H](N(C)C)[C@H](O)[C@H]4O)C
• InChI: 1S/C26H37N5O8/c1-13-20(30(4)5)21(33)22(34)25(38-13)39-23-14(2)37-19(12-17(23)32)31-11-10-18(29-26(31)36)28-24(35)15-6-8-16(27-3)9-7-15/h6-11,13-14,17,19-23,25,27,32-34H,12H2,1-5H3,(H,28,29,35,36)/t13-,14+,17+,19+,20-,21+,22-,23+,25-/m1/s1
• InChIKey: UFIWZSNSJFCLAC-NIMFOLHWSA-N

Properties

• Density: 1.466g/cm³ (Cal.)