1-(2-Nitro)Phenylethyl-P(3)-Guanylyl Imidodiphosphate
[CAS# 116271-22-8]

Identification

• Name: 1-(2-Nitro)Phenylethyl-P(3)-Guanylyl Imidodiphosphate
• Synonyms: [[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphinimyl] [Hydroxy-[1-(2-Nitrophenyl)Ethoxy]Phosphoryl] Hydrogen Phosphate; [[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphinimyl] [Hydroxy-[1-(2-Nitrophenyl)Ethoxy]Phosphoryl] Hydrogen Phosphate; [[(2R,3S,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphinimyl] [Hydroxy-[1-(2-Nitrophenyl)Ethoxy]Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₁₈H₂₄N₇O₁₅P₃
• Molecular Weight: 671.35
• CAS Registry Number: 116271-22-8
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1[N]2C3=C(N=C2)C(=O)N=C(N3)N)CO[P](O[P](O[P](OC(C4=CC=CC=C4[N+]([O-])=O)C)(O)=O)(O)=O)(O)=N
• InChI: 1S/C18H24N7O15P3/c1-8(9-4-2-3-5-10(9)25(29)30)38-42(32,33)40-43(34,35)39-41(20,31)36-6-11-13(26)14(27)17(37-11)24-7-21-12-15(24)22-18(19)23-16(12)28/h2-5,7-8,11,13-14,17,26-27H,6H2,1H3,(H2,20,31)(H,32,33)(H,34,35)(H3,19,22,23,28)/t8?,11-,13-,14-,17-,41?/m1/s1
• InChIKey: XSZNISBTJNZPLS-WSSMKXPZSA-N

Properties

• Density: 2.22g/cm³ (Cal.)
• Boiling point: 1012.891°C at 760 mmHg (Cal.)
• Flash point: 566.376°C (Cal.)