2-[[9-[5-(Phosphonooxymethyl)Oxolan-2-Yl]Purin-6-Yl]Amino]Butanedioic Acid
[CAS# 140210-37-3]

Identification

• Name: 2-[[9-[5-(Phosphonooxymethyl)Oxolan-2-Yl]Purin-6-Yl]Amino]Butanedioic Acid
• Synonyms: 2-[[9-[5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Butanedioic Acid; 2-[[9-[5-(Phosphonooxymethyl)-2-Tetrahydrofuranyl]-6-Purinyl]Amino]Butanedioic Acid; 2-[[9-[5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Succinic Acid
• Molecular Formula: C₁₄H₁₈N₅O₉P
• Molecular Weight: 431.30
• CAS Registry Number: 140210-37-3
• SMILES: C1=NC2=C(C(=N1)NC(CC(O)=O)C(=O)O)N=C[N]2C3CCC(O3)CO[P](O)(O)=O
• InChI: 1S/C14H18N5O9P/c20-10(21)3-8(14(22)23)18-12-11-13(16-5-15-12)19(6-17-11)9-2-1-7(28-9)4-27-29(24,25)26/h5-9H,1-4H2,(H,20,21)(H,22,23)(H,15,16,18)(H2,24,25,26)
• InChIKey: MQOGCZQHRYUVEN-UHFFFAOYSA-N

Properties

• Density: 1.994g/cm³ (Cal.)
• Boiling point: 814.3°C at 760 mmHg (Cal.)
• Flash point: 446.273°C (Cal.)