2'-Deoxycytidylyl-(5'-3')-2'-Deoxyguanylyl-(5'-3')-2'-Deoxycytidylyl-(5'-3')-2'-Deoxy-5'-Guanylic acid
[CAS# 68923-10-4]

Identification

• Name: 2'-Deoxycytidylyl-(5'-3')-2'-Deoxyguanylyl-(5'-3')-2'-Deoxycytidylyl-(5'-3')-2'-Deoxy-5'-Guanylic acid
• Synonyms: [(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3-[[(2R,3S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate; [(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3-[[(2R,3S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-2-Tetrahydrofuranyl]Methyl [(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-(Phosphonooxymethyl)-3-Tetrahydrofuranyl]Oxy-Hydroxyphosphoryl]Oxymethyl]-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3-Tetrahydrofuranyl] Hydrogen Phosphate; [(2R,3S,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3-[[(2R,3S,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
• Molecular Formula: C₃₈H₅₀N₁₆O₂₅P₄
• Molecular Weight: 1254.80
• CAS Registry Number: 68923-10-4
• SMILES: [C@H]3(O[C@@H]([C@@H](O[P](OC[C@H]2O[C@@H](N1C(=O)N=C(N)C=C1)C[C@@H]2O)(=O)O)C3)CO[P](O[C@@H]5[C@H](O[C@@H](N4C(=O)N=C(N)C=C4)C5)CO[P](O[C@@H]8[C@H](O[C@@H]([N]6C7=C(N=C6)C(=O)N=C(N7)N)C8)CO[P](=O)(O)O)(=O)O)(=O)O)[N]9C%10=C(N=C9)C(=O)N=C(N%10)N
• InChI: 1S/C38H50N16O25P4/c39-23-1-3-51(37(58)45-23)25-5-15(55)19(73-25)9-70-81(63,64)79-18-8-28(54-14-44-30-32(54)48-36(42)50-34(30)57)76-22(18)12-72-82(65,66)77-16-6-26(52-4-2-24(40)46-38(52)59)74-21(16)11-71-83(67,68)78-17-7-27(75-20(17)10-69-80(60,61)62)53-13-43-29-31(53)47-35(41)49-33(29)56/h1-4,13-22,25-28,55H,5-12H2,(H,63,64)(H,65,66)(H,67,68)(H2,39,45,58)(H2,40,46,59)(H2,60,61,62)(H3,41,47,49,56)(H3,42,48,50,57)/t15-,16-,17-,18-,19+,20+,21+,22+,25+,26+,27+,28+/m0/s1
• InChIKey: QCBPOEYESJRYMS-BNMKEWDUSA-N

Properties

• Density: 2.334g/cm³ (Cal.)