4-Amino-N-[1-[(2R,4R,5S,6R)-5-[(1S,2R,3S,4R,5S)-4-Dimethylamino-2,3,5-Trihydroxycyclohexyl]Oxy-4-Hydroxy-6-Methyloxan-2-Yl]-2-Oxopyrimidin-4-Yl]Benzamide
[CAS# 100108-92-7]

Identification

• Name: 4-Amino-N-[1-[(2R,4R,5S,6R)-5-[(1S,2R,3S,4R,5S)-4-Dimethylamino-2,3,5-Trihydroxycyclohexyl]Oxy-4-Hydroxy-6-Methyloxan-2-Yl]-2-Oxopyrimidin-4-Yl]Benzamide
• Synonyms: 4-Amino-N-[1-[(2R,4R,5S,6R)-5-[(1S,2R,3S,4R,5S)-4-Dimethylamino-2,3,5-Trihydroxy-Cyclohexoxy]-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]-2-Oxo-Pyrimidin-4-Yl]Benzamide; 4-Amino-N-[1-[(2R,4R,5S,6R)-5-[(1S,2R,3S,4R,5S)-4-Dimethylamino-2,3,5-Trihydroxycyclohexoxy]-4-Hydroxy-6-Methyl-2-Tetrahydropyranyl]-2-Oxo-4-Pyrimidinyl]Benzamide; 4-Amino-N-[1-[(2R,4R,5S,6R)-5-[(1S,2R,3S,4R,5S)-4-Dimethylamino-2,3,5-Trihydroxy-Cyclohexoxy]-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]-2-Keto-Pyrimidin-4-Yl]Benzamide
• Molecular Formula: C₂₅H₃₅N₅O₈
• Molecular Weight: 533.58
• CAS Registry Number: 100108-92-7
• SMILES: [C@@H]4(O[C@@H]3[C@H](O[C@@H](N2C(=O)N=C(NC(=O)C1=CC=C(N)C=C1)C=C2)C[C@H]3O)C)[C@H](O)[C@@H](O)[C@H](N(C)C)[C@@H](O)C4
• InChI: 1S/C25H35N5O8/c1-12-23(38-17-10-15(31)20(29(2)3)22(34)21(17)33)16(32)11-19(37-12)30-9-8-18(28-25(30)36)27-24(35)13-4-6-14(26)7-5-13/h4-9,12,15-17,19-23,31-34H,10-11,26H2,1-3H3,(H,27,28,35,36)/t12-,15+,16-,17+,19-,20-,21+,22+,23-/m1/s1
• InChIKey: NJRKCURACRGUML-IIYKVCNPSA-N

Properties

• Density: 1.559g/cm³ (Cal.)