6-[2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-[(Hydroxy-Phosphonooxyphosphoryl)Oxymethyl]Oxolan-2-Yl]-6-Oxo-3,8-Dihydropurin-7-Yl]Hexanoic Acid
[CAS# 79441-38-6]

Identification

• Name: 6-[2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-[(Hydroxy-Phosphonooxyphosphoryl)Oxymethyl]Oxolan-2-Yl]-6-Oxo-3,8-Dihydropurin-7-Yl]Hexanoic Acid
• Synonyms: 6-[2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]Tetrahydrofuran-2-Yl]-6-Oxo-3,8-Dihydropurin-7-Yl]Hexanoic Acid; 6-[2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-[(Hydroxy-Phosphonooxyphosphoryl)Oxymethyl]-2-Tetrahydrofuranyl]-6-Oxo-3,8-Dihydropurin-7-Yl]Hexanoic Acid; 6-[2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]Tetrahydrofuran-2-Yl]-6-Keto-3,8-Dihydropurin-7-Yl]Hexanoic Acid
• Molecular Formula: C₁₆H₂₇N₅O₁₃P₂
• Molecular Weight: 559.36
• CAS Registry Number: 79441-38-6
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O)(O)=O)(O)=O)N2CN(C3=C2NC(=NC3=O)N)CCCCCC(O)=O
• InChI: 1S/C16H27N5O13P2/c17-16-18-13-10(14(26)19-16)20(5-3-1-2-4-9(22)23)7-21(13)15-12(25)11(24)8(33-15)6-32-36(30,31)34-35(27,28)29/h8,11-12,15,24-25H,1-7H2,(H,22,23)(H,30,31)(H2,27,28,29)(H3,17,18,19,26)/t8-,11-,12-,15-/m1/s1
• InChIKey: RHOIRTZWSWCSOF-PMXXHBEXSA-N

Properties

• Density: 2.11g/cm³ (Cal.)
• Boiling point: 905.769°C at 760 mmHg (Cal.)
• Flash point: 501.591°C (Cal.)