Polydeoxy(Guanine-Thymine) Nucleotide
[CAS# 55684-98-5]

Identification

• Name: Polydeoxy(Guanine-Thymine) Nucleotide
• Synonyms: [(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-(Phosphonooxymethyl)-3-Tetrahydrofuranyl] [(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3S,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₂₀H₂₇N₇O₁₄P₂
• Molecular Weight: 651.42
• CAS Registry Number: 55684-98-5
• SMILES: [C@H]2([C@H](C[C@H](N1C(NC(C(=C1)C)=O)=O)O2)O)CO[P](O[C@H]3C[C@@H](O[C@@H]3CO[P](=O)(O)O)[N]5C4=C(C(N=C(N4)N)=O)N=C5)(=O)O
• InChI: 1S/C20H27N7O14P2/c1-8-4-26(20(31)25-17(8)29)13-2-9(28)11(39-13)5-38-43(35,36)41-10-3-14(40-12(10)6-37-42(32,33)34)27-7-22-15-16(27)23-19(21)24-18(15)30/h4,7,9-14,28H,2-3,5-6H2,1H3,(H,35,36)(H,25,29,31)(H2,32,33,34)(H3,21,23,24,30)/t9-,10-,11+,12+,13+,14+/m0/s1
• InChIKey: KQVGIENMXBONMG-PRSXHHODSA-N

Properties

• Density: 2.199g/cm³ (Cal.)