[[4-(2-Amino-4-Oxo-5,8-Dihydro-1H-Pteridin-6-Yl)-2-Hydroxy-3,4-Disulfanylidenebutoxy]-Hydroxyphosphoryl] [5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Hydrogen Phosphate
[CAS# 128007-95-4]

Identification

• Name: [[4-(2-Amino-4-Oxo-5,8-Dihydro-1H-Pteridin-6-Yl)-2-Hydroxy-3,4-Disulfanylidenebutoxy]-Hydroxyphosphoryl] [5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Hydrogen Phosphate
• Synonyms: [[4-(2-Amino-4-Oxo-5,8-Dihydro-1H-Pteridin-6-Yl)-2-Hydroxy-3,4-Dithioxo-Butoxy]-Hydroxy-Phosphoryl] [5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [[4-(2-Amino-4-Oxo-5,8-Dihydro-1H-Pteridin-6-Yl)-2-Hydroxy-3,4-Dithioxobutoxy]-Hydroxyphosphoryl] [5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [[4-(2-Amino-4-Keto-5,8-Dihydro-1H-Pteridin-6-Yl)-2-Hydroxy-3,4-Dithioxo-Butoxy]-Hydroxy-Phosphoryl] [5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₂₀H₂₄N₁₀O₁₃P₂S₂
• Molecular Weight: 738.54
• CAS Registry Number: 128007-95-4
• SMILES: C1=NC5=C([N]1C2OC(C(O)C2O)CO[P](O[P](OCC(O)C(=S)C(=S)C3=CNC4=C(N3)C(=O)N=C(N4)N)(O)=O)(O)=O)NC(=NC5=O)N
• InChI: 1S/C20H24N10O13P2S2/c21-19-26-14-8(16(34)28-19)25-5(1-23-14)12(46)13(47)6(31)2-40-44(36,37)43-45(38,39)41-3-7-10(32)11(33)18(42-7)30-4-24-9-15(30)27-20(22)29-17(9)35/h1,4,6-7,10-11,18,25,31-33H,2-3H2,(H,36,37)(H,38,39)(H3,22,27,29,35)(H4,21,23,26,28,34)
• InChIKey: MNEQOJMCKOBWNR-UHFFFAOYSA-N

Properties

• Density: 2.399g/cm³ (Cal.)
• Boiling point: 1088.813°C at 760 mmHg (Cal.)
• Flash point: 612.292°C (Cal.)