N-[1-[(2R,4R,5S,6R)-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]-3-Methylbut-2-Enamide
[CAS# 157878-04-1]

Identification

• Name: N-[1-[(2R,4R,5S,6R)-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]-3-Methylbut-2-Enamide
• Synonyms: N-[1-[(2R,4R,5S,6R)-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]-3-Methyl-But-2-Enamide; N-[1-[(2R,4R,5S,6R)-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]-3-Methylbut-2-Enamide; N-[1-[(2R,4R,5S,6R)-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]-3-Methyl-But-2-Enamide
• Molecular Formula: C₂₃H₃₆N₄O₈
• Molecular Weight: 496.56
• CAS Registry Number: 157878-04-1
• SMILES: [C@@H]2(N1C(N=C(C=C1)NC(C=C(C)C)=O)=O)O[C@H](C)[C@H]([C@@H](C2)O)O[C@@H]3[C@@H]([C@@H](O)[C@@H]([C@H](O3)C)N(C)C)O
• InChI: 1S/C23H36N4O8/c1-11(2)9-16(29)24-15-7-8-27(23(32)25-15)17-10-14(28)21(13(4)33-17)35-22-20(31)19(30)18(26(5)6)12(3)34-22/h7-9,12-14,17-22,28,30-31H,10H2,1-6H3,(H,24,25,29,32)/t12-,13-,14-,17-,18-,19+,20-,21-,22-/m1/s1
• InChIKey: QIFBWQHIMSOVGC-NJGLGVPISA-N

Properties

• Density: 1.425g/cm³ (Cal.)