3-[9-[(2R,4S,5R)-4-Hydroxy-5-(Phosphonooxymethyl)Oxolan-2-Yl]-6-Iminopurin-1-Yl]Propanoic Acid
[CAS# 73095-00-8]

Identification

• Name: 3-[9-[(2R,4S,5R)-4-Hydroxy-5-(Phosphonooxymethyl)Oxolan-2-Yl]-6-Iminopurin-1-Yl]Propanoic Acid
• Synonyms: 3-[9-[(2R,4S,5R)-4-Hydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]-6-Imino-Purin-1-Yl]Propanoic Acid; 3-[9-[(2R,4S,5R)-4-Hydroxy-5-(Phosphonooxymethyl)-2-Tetrahydrofuranyl]-6-Imino-1-Purinyl]Propanoic Acid; 3-[9-[(2R,4S,5R)-4-Hydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]-6-Imino-Purin-1-Yl]Propionic Acid
• Molecular Formula: C₁₃H₁₈N₅O₈P
• Molecular Weight: 403.29
• CAS Registry Number: 73095-00-8
• SMILES: [C@H]3([N]2C1=C(C(N(C=N1)CCC(O)=O)=N)N=C2)C[C@@H]([C@H](O3)CO[P](O)(O)=O)O
• InChI: 1S/C13H18N5O8P/c14-12-11-13(16-5-17(12)2-1-10(20)21)18(6-15-11)9-3-7(19)8(26-9)4-25-27(22,23)24/h5-9,14,19H,1-4H2,(H,20,21)(H2,22,23,24)/t7-,8+,9+/m0/s1
• InChIKey: MRAOIJOEQRNBPX-DJLDLDEBSA-N

Properties

• Density: 2.005g/cm³ (Cal.)
• Boiling point: 848.394°C at 760 mmHg (Cal.)
• Flash point: 466.892°C (Cal.)