3-Hydroxy-2-(7H-Purin-6-Ylcarbamoylamino)Butanoic Acid
[CAS# 33422-66-1]

Identification

• Name: 3-Hydroxy-2-(7H-Purin-6-Ylcarbamoylamino)Butanoic Acid
• Synonyms: 3-Hydroxy-2-[[Oxo-(7H-Purin-6-Ylamino)Methyl]Amino]Butanoic Acid; 3-Hydroxy-2-(7H-Purin-6-Ylcarbamoylamino)Butyric Acid; Threonine, N-(Purin-6-Ylcarbamoyl)-, L-
• Molecular Formula: C₁₀H₁₂N₆O₄
• Molecular Weight: 280.24
• CAS Registry Number: 33422-66-1
• SMILES: C1=NC2=C([NH]1)C(=NC=N2)NC(=O)NC(C(=O)O)C(O)C
• InChI: 1S/C10H12N6O4/c1-4(17)5(9(18)19)15-10(20)16-8-6-7(12-2-11-6)13-3-14-8/h2-5,17H,1H3,(H,18,19)(H3,11,12,13,14,15,16,20)
• InChIKey: LRLURXLUACWPAF-UHFFFAOYSA-N

Properties

• Density: 1.69g/cm³ (Cal.)
• Boiling point: 674.047°C at 760 mmHg (Cal.)
• Flash point: 361.451°C (Cal.)