Adenosine 5'-O-(1-Thiodiphosphate)
[CAS# 51777-22-1]

Identification

• Name: Adenosine 5'-O-(1-Thiodiphosphate)
• Synonyms: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphinothioyl] Dihydrogen Phosphate; [[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphinothioyl] Dihydrogen Phosphate; [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Thiophosphoryl] Dihydrogen Phosphate
• Molecular Formula: C₁₀H₁₅N₅O₉P₂S
• Molecular Weight: 443.26
• CAS Registry Number: 51777-22-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](=S)(O[P](=O)(O)O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-26(21,27)24-25(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,27)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-,26?/m1/s1
• InChIKey: LPUNOWSWFBIBQH-JVXRWYCYSA-N

Properties

• Density: 2.429g/cm³ (Cal.)
• Boiling point: 865.657°C at 760 mmHg (Cal.)
• Flash point: 477.332°C (Cal.)