(2S,3R)-3-Hydroxy-2-[(Methyl-(7H-Purin-6-Yl)Carbamoyl)Amino]Butanoic Acid
[CAS# 132603-03-3]

Identification

• Name: (2S,3R)-3-Hydroxy-2-[(Methyl-(7H-Purin-6-Yl)Carbamoyl)Amino]Butanoic Acid
• Synonyms: (2S,3R)-3-Hydroxy-2-[[(Methyl-(7H-Purin-6-Yl)Amino)-Oxomethyl]Amino]Butanoic Acid; (2S,3R)-3-Hydroxy-2-[(Methyl-(7H-Purin-6-Yl)Carbamoyl)Amino]Butyric Acid; M(6)Tc(6)Ade
• Molecular Formula: C₁₁H₁₄N₆O₄
• Molecular Weight: 294.27
• CAS Registry Number: 132603-03-3
• SMILES: [C@H](C(=O)O)(NC(=O)N(C2=C1[NH]C=NC1=NC=N2)C)[C@@H](C)O
• InChI: 1S/C11H14N6O4/c1-5(18)6(10(19)20)16-11(21)17(2)9-7-8(13-3-12-7)14-4-15-9/h3-6,18H,1-2H3,(H,16,21)(H,19,20)(H,12,13,14,15)/t5-,6+/m1/s1
• InChIKey: XZLRWTMZJKLIDG-RITPCOANSA-N

Properties

• Density: 1.596g/cm³ (Cal.)
• Boiling point: 768.493°C at 760 mmHg (Cal.)
• Flash point: 418.57°C (Cal.)