[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphinothioyl] Dihydrogen Phosphate
[CAS# 77481-24-4]

Identification

• Name: [[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphinothioyl] Dihydrogen Phosphate
• Synonyms: [[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphinothioyl] Dihydrogen Phosphate; [[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphinothioyl] Dihydrogen Phosphate; [[(2R,3S,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Thiophosphoryl] Dihydrogen Phosphate
• Molecular Formula: C₁₀H₁₅N₅O₁₀P₂S
• Molecular Weight: 459.26
• CAS Registry Number: 77481-24-4
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1[N]2C3=C(N=C2)C(=O)N=C(N3)N)CO[P](=S)(O[P](O)(O)=O)O
• InChI: 1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-27(22,28)25-26(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,28)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-,27?/m1/s1
• InChIKey: BMFDWNNPPWNUAM-PIORMBHWSA-N

Properties

• Density: 2.556g/cm³ (Cal.)
• Boiling point: 945.026°C at 760 mmHg (Cal.)
• Flash point: 525.333°C (Cal.)