[2-[(2S,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]-1,3-Bis[(2R,3R,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3-Hydroxy-4-Phosphonooxyoxolan-2-Yl]Propan-2-Yl] Dihydrogen Phosphate
[CAS# 3504-15-2]

Identification

• Name: [2-[(2S,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]-1,3-Bis[(2R,3R,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3-Hydroxy-4-Phosphonooxyoxolan-2-Yl]Propan-2-Yl] Dihydrogen Phosphate
• Synonyms: [1-[(2S,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-2-[(2R,3R,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3-Hydroxy-4-Phosphonooxy-Tetrahydrofuran-2-Yl]-1-[[(2R,3R,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3-Hydroxy-4-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl]Ethyl] Dihydrogen Phosphate; [1-[(2S,3S,4R,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]-2-[(2R,3R,4R,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3-Hydroxy-4-Phosphonooxy-2-Tetrahydrofuranyl]-1-[[(2R,3R,4R,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3-Hydroxy-4-Phosphonooxy-2-Tetrahydrofuranyl]Methyl]Ethyl] Dihydrogen Phosphate; [1-[(2S,3S,4R,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-2-[(2R,3R,4R,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3-Hydroxy-4-Phosphonooxy-Tetrahydrofuran-2-Yl]-1-[[(2R,3R,4R,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3-Hydroxy-4-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl]Ethyl] Dihydrogen Phosphate
• Molecular Formula: C₂₇H₃₅N₆O₂₅P₃
• Molecular Weight: 936.52
• CAS Registry Number: 3504-15-2
• SMILES: [C@@H]2(O[C@@H](N1C(=O)NC(=O)C=C1)[C@H](O)[C@@H]2O)C(O[P](=O)(O)O)(C[C@H]4O[C@@H](N3C(=O)NC(=O)C=C3)[C@H](O[P](=O)(O)O)[C@@H]4O)C[C@H]6O[C@@H](N5C(=O)NC(=O)C=C5)[C@H](O[P](=O)(O)O)[C@@H]6O
• InChI: 1S/C27H35N6O25P3/c34-11-1-4-31(24(41)28-11)21-17(40)16(39)20(55-21)27(58-61(50,51)52,7-9-14(37)18(56-59(44,45)46)22(53-9)32-5-2-12(35)29-25(32)42)8-10-15(38)19(57-60(47,48)49)23(54-10)33-6-3-13(36)30-26(33)43/h1-6,9-10,14-23,37-40H,7-8H2,(H,28,34,41)(H,29,35,42)(H,30,36,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)/t9-,10-,14-,15-,16+,17-,18-,19-,20+,21-,22-,23-/m1/s1
• InChIKey: ISIADHSUQYFCNX-QGPWHBDCSA-N

Properties

• Density: 2.08g/cm³ (Cal.)