Thymidylyl-(3'-5')-3'-thymidylic acid
[CAS# 2476-56-4]

Identification

• Name: Thymidylyl-(3'-5')-3'-thymidylic acid
• Synonyms: [(2R,3S,5S)-2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-3-Yl] [(2R,3S,5R)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2R,3S,5S)-2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-3-Tetrahydrofuranyl] [(2R,3S,5R)-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-3-Phosphonooxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3S,5S)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-2-Methylol-Tetrahydrofuran-3-Yl] [(2R,3S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₂₀H₂₈N₄O₁₅P₂
• Molecular Weight: 626.41
• CAS Registry Number: 2476-56-4
• SMILES: [C@H]1(O[C@@H]([C@@H](O[P](=O)(O)O)C1)CO[P](O[C@@H]3[C@H](O[C@H](N2C(=O)NC(=O)C(=C2)C)C3)CO)(=O)O)N4C(=O)NC(=O)C(=C4)C
• InChI: 1S/C20H28N4O15P2/c1-9-5-23(19(28)21-17(9)26)15-3-11(13(7-25)36-15)39-41(33,34)35-8-14-12(38-40(30,31)32)4-16(37-14)24-6-10(2)18(27)22-20(24)29/h5-6,11-16,25H,3-4,7-8H2,1-2H3,(H,33,34)(H,21,26,28)(H,22,27,29)(H2,30,31,32)/t11-,12-,13+,14+,15-,16+/m0/s1
• InChIKey: LPGUBBCKPSUVTG-UGYDUONOSA-N

Properties

• Density: 1.753g/cm³ (Cal.)