(2R,3S)-3-Hydroxy-2-[(2-Methylsulfanyl-7H-Purin-6-Yl)Carbamoylamino]Butanoic Acid
[CAS# 132603-04-4]

Identification

• Name: (2R,3S)-3-Hydroxy-2-[(2-Methylsulfanyl-7H-Purin-6-Yl)Carbamoylamino]Butanoic Acid
• Synonyms: (2R,3S)-3-Hydroxy-2-[[[[2-(Methylthio)-7H-Purin-6-Yl]Amino]-Oxomethyl]Amino]Butanoic Acid; (2R,3S)-3-Hydroxy-2-[[2-(Methylthio)-7H-Purin-6-Yl]Carbamoylamino]Butyric Acid; Ms(2)Tc(6)Ade
• Molecular Formula: C₁₁H₁₄N₆O₄S
• Molecular Weight: 326.33
• CAS Registry Number: 132603-04-4
• SMILES: [C@@H](NC(NC1=NC(=NC2=C1[NH]C=N2)SC)=O)([C@H](C)O)C(=O)O
• InChI: 1S/C11H14N6O4S/c1-4(18)5(9(19)20)14-10(21)15-8-6-7(13-3-12-6)16-11(17-8)22-2/h3-5,18H,1-2H3,(H,19,20)(H3,12,13,14,15,16,17,21)/t4-,5+/m0/s1
• InChIKey: UATAXLMJXKUHHR-CRCLSJGQSA-N

Properties

• Density: 1.634g/cm³ (Cal.)