N-(N'-Methyl-N-(9beta-D-Ribofuranosylpurin-6-Yl)Carbamyl)Threonine
[CAS# 39667-81-7]

Identification

• Name: N-(N'-Methyl-N-(9beta-D-Ribofuranosylpurin-6-Yl)Carbamyl)Threonine
• Synonyms: (2S,3R)-2-[[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purin-6-Yl]-Methyl-Carbamoyl]Amino]-3-Hydroxy-Butanoic Acid; (2S,3R)-2-[[[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-6-Purinyl]-Methylamino]-Oxomethyl]Amino]-3-Hydroxybutanoic Acid; (2S,3R)-2-[[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Purin-6-Yl]-Methyl-Carbamoyl]Amino]-3-Hydroxy-Butyric Acid
• Molecular Formula: C₁₆H₂₂N₆O₈
• Molecular Weight: 426.39
• CAS Registry Number: 39667-81-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]2C3=C(N=C2)C(=NC=N3)N(C(=O)N[C@H](C(=O)O)[C@H](O)C)C
• InChI: 1S/C16H22N6O8/c1-6(24)8(15(27)28)20-16(29)21(2)12-9-13(18-4-17-12)22(5-19-9)14-11(26)10(25)7(3-23)30-14/h4-8,10-11,14,23-26H,3H2,1-2H3,(H,20,29)(H,27,28)/t6-,7-,8+,10-,11-,14-/m1/s1
• InChIKey: PEDOATWRBUGMHU-KQSSXJRRSA-N

Properties

• Density: 1.849g/cm³ (Cal.)