N-((9-beta-D-Ribofuranosyl-2-Methylthiopurine-6-Yl)Carbamoyl)Threonine
[CAS# 70333-82-3]

Identification

• Name: N-((9-beta-D-Ribofuranosyl-2-Methylthiopurine-6-Yl)Carbamoyl)Threonine
• Synonyms: (2S,3R)-2-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-2-Methylsulfanyl-Purin-6-Yl]Carbamoylamino]-3-Hydroxy-Butanoic Acid; (2S,3R)-2-[[[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-2-(Methylthio)-6-Purinyl]Amino]-Oxomethyl]Amino]-3-Hydroxybutanoic Acid; (2S,3R)-2-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-2-(Methylthio)Purin-6-Yl]Carbamoylamino]-3-Hydroxy-Butyric Acid
• Molecular Formula: C₁₆H₂₂N₆O₈S
• Molecular Weight: 458.45
• CAS Registry Number: 70333-82-3
• SMILES: [C@H](C(=O)O)(NC(=O)NC1=NC(=NC2=C1N=C[N]2[C@H]3[C@H](O)[C@H](O)[C@H](O3)CO)SC)[C@@H](C)O
• InChI: 1S/C16H22N6O8S/c1-5(24)7(14(27)28)18-15(29)19-11-8-12(21-16(20-11)31-2)22(4-17-8)13-10(26)9(25)6(3-23)30-13/h4-7,9-10,13,23-26H,3H2,1-2H3,(H,27,28)(H2,18,19,20,21,29)/t5-,6-,7+,9-,10-,13-/m1/s1
• InChIKey: MMNYGKPAZBIRKN-DWVDDHQFSA-N

Properties

• Density: 1.918g/cm³ (Cal.)