Ethenoadenosine Triphosphate-2',3'-Dialdehyde
[CAS# 84184-92-9]

Identification

• Name: Ethenoadenosine Triphosphate-2',3'-Dialdehyde
• Synonyms: (Hydroxy-Phosphonooxy-Phosphoryl) [(2R)-2-[(1R)-1-Imidazo[2,1-F]Purin-3-Yl-2-Oxo-Ethoxy]-3-Oxo-Propyl] Hydrogen Phosphate; (Hydroxy-Phosphonooxyphosphoryl) [(2R)-2-[(1R)-1-(3-Imidazo[2,1-F]Purinyl)-2-Oxoethoxy]-3-Oxopropyl] Hydrogen Phosphate; (Hydroxy-Phosphonooxy-Phosphoryl) [(2R)-2-[(1R)-1-Imidazo[2,1-F]Purin-3-Yl-2-Keto-Ethoxy]-3-Keto-Propyl] Hydrogen Phosphate
• Molecular Formula: C₁₂H₁₄N₅O₁₃P₃
• Molecular Weight: 529.19
• CAS Registry Number: 84184-92-9
• SMILES: [C@H]([N]3C2=C(C1=NC=C[N]1C=N2)N=C3)(C=O)O[C@@H](C=O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O
• InChI: 1S/C12H14N5O13P3/c18-3-8(5-27-32(23,24)30-33(25,26)29-31(20,21)22)28-9(4-19)17-7-14-10-11-13-1-2-16(11)6-15-12(10)17/h1-4,6-9H,5H2,(H,23,24)(H,25,26)(H2,20,21,22)/t8-,9+/m0/s1
• InChIKey: KWEJUGDXGRJLPD-DTWKUNHWSA-N

Properties

• Density: 2.219g/cm³ (Cal.)