P(1)-(Adenosine-5')-P(5)-(Thymidine-5')-Pentaphosphate
[CAS# 13457-68-6]

Identification

• Name: P(1)-(Adenosine-5')-P(5)-(Thymidine-5')-Pentaphosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-[Hydroxy-[Hydroxy-[[(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methoxy]Phosphoryl]Oxy-Phosphoryl]Oxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [Hydroxy-[Hydroxy-[Hydroxy-[[(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methoxy]Phosphoryl]Oxyphosphoryl]Oxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[[[(2R,3S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₂₀H₂₉N₇O₂₀P₄
• Molecular Weight: 811.38
• CAS Registry Number: 13457-68-6
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](O[P](OC[C@H]3O[C@@H](N2C(=O)NC(=O)C(=C2)C)C[C@@H]3O)(=O)O)(=O)O)(=O)O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C20H29N7O20P4/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(43-12)4-41-48(33,34)45-50(37,38)47-51(39,40)46-49(35,36)42-5-11-14(29)15(30)19(44-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12+,14+,15+,19+/m0/s1
• InChIKey: WLGHSSFVEUABFP-SLFMBYJQSA-N

Properties

• Density: 2.396g/cm³ (Cal.)