1,N(6)-Etheno-2'-Deoxyadenosine 5'-Triphosphate
[CAS# 81004-54-8]

Identification

• Name: 1,N(6)-Etheno-2'-Deoxyadenosine 5'-Triphosphate
• Synonyms: [(2R,3S,5R)-3-Hydroxy-5-Imidazo[2,1-F]Purin-3-Yl-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-(3-Imidazo[2,1-F]Purinyl)-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-Imidazo[2,1-F]Purin-3-Yl-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₂H₁₆N₅O₁₂P₃
• Molecular Weight: 515.21
• CAS Registry Number: 81004-54-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[N]2C4=C(N=C2)C3=NC=C[N]3C=N4
• InChI: 1S/C12H16N5O12P3/c18-7-3-9(17-6-14-10-11-13-1-2-16(11)5-15-12(10)17)27-8(7)4-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-2,5-9,18H,3-4H2,(H,22,23)(H,24,25)(H2,19,20,21)/t7-,8+,9+/m0/s1
• InChIKey: OLJFCGDEGHURMU-DJLDLDEBSA-N

Properties

• Density: 2.422g/cm³ (Cal.)