[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-N-[(5-Fluoro-2,4-Dinitrophenyl)Amino]Phosphonamidic Acid
[CAS# 135101-78-9]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-N-[(5-Fluoro-2,4-Dinitrophenyl)Amino]Phosphonamidic Acid
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-N-[(5-Fluoro-2,4-Dinitro-Phenyl)Amino]Phosphonamidic Acid; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-N-[(5-Fluoro-2,4-Dinitrophenyl)Amino]Phosphonamidic Acid; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-N-[(5-Fluoro-2,4-Dinitro-Phenyl)Amino]Phosphonamidic Acid
• Molecular Formula: C₁₆H₁₇FN₉O₁₀P
• Molecular Weight: 545.34
• CAS Registry Number: 135101-78-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](=O)(O)NNC2=CC(=C([N+]([O-])=O)C=C2[N+]([O-])=O)F)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C16H17FN9O10P/c17-6-1-7(9(26(31)32)2-8(6)25(29)30)22-23-37(33,34)35-3-10-12(27)13(28)16(36-10)24-5-21-11-14(18)19-4-20-15(11)24/h1-2,4-5,10,12-13,16,22,27-28H,3H2,(H2,18,19,20)(H2,23,33,34)/t10-,12-,13-,16-/m1/s1
• InChIKey: NVHIPXVWGGOHPN-XNIJJKJLSA-N

Properties

• Density: 2.245g/cm³ (Cal.)
• Boiling point: 877.843°C at 760 mmHg (Cal.)
• Flash point: 484.702°C (Cal.)