2-(Guanylformylmethoxy)-3-(Triphospho)Propanal
[CAS# 58045-02-6]

Identification

• Name: 2-(Guanylformylmethoxy)-3-(Triphospho)Propanal
• Synonyms: (2R)-2-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-[(1R)-1-Formyl-2-[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Ethoxy]Acetic Acid; (2R)-2-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-[(1R)-1-Formyl-2-[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Ethoxy]Acetic Acid; (2R)-2-(2-Amino-6-Keto-3H-Purin-9-Yl)-2-[(1R)-1-Formyl-2-[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Ethoxy]Acetic Acid
• Molecular Formula: C₁₀H₁₄N₅O₁₄P₃
• Molecular Weight: 521.17
• CAS Registry Number: 58045-02-6
• SMILES: [C@H](O[C@@H]([N]1C2=C(N=C1)C(=O)N=C(N2)N)C(O)=O)(C[P](O[P](O[P](O)(O)=O)(O)=O)(O)=O)C=O
• InChI: 1S/C10H14N5O14P3/c11-10-13-6-5(7(17)14-10)12-3-15(6)8(9(18)19)27-4(1-16)2-30(20,21)28-32(25,26)29-31(22,23)24/h1,3-4,8H,2H2,(H,18,19)(H,20,21)(H,25,26)(H2,22,23,24)(H3,11,13,14,17)/t4-,8-/m1/s1
• InChIKey: WBRWDENTTNQUMV-SPGJFGJESA-N

Properties

• Density: 2.494g/cm³ (Cal.)
• Boiling point: 1017.966°C at 760 mmHg (Cal.)
• Flash point: 569.445°C (Cal.)