(2S,3R,4S,5R)-2-(6-Aminopurin-9-Yl)-5-[(Hydroxy-Methoxyphosphinothioyl)Oxymethyl]Oxolane-3,4-Diol
[CAS# 107133-74-4]

Identification

• Name: (2S,3R,4S,5R)-2-(6-Aminopurin-9-Yl)-5-[(Hydroxy-Methoxyphosphinothioyl)Oxymethyl]Oxolane-3,4-Diol
• Synonyms: (2S,3R,4S,5R)-2-(6-Aminopurin-9-Yl)-5-[(Hydroxy-Methoxy-Phosphinothioyl)Oxymethyl]Tetrahydrofuran-3,4-Diol; (2S,3R,4S,5R)-2-(6-Amino-9-Purinyl)-5-[(Hydroxy-Methoxyphosphinothioyl)Oxymethyl]Tetrahydrofuran-3,4-Diol; (2S,3R,4S,5R)-2-(6-Aminopurin-9-Yl)-5-[(Hydroxy-Methoxy-Thiophosphoryl)Oxymethyl]Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₁H₁₆N₅O₆PS
• Molecular Weight: 377.31
• CAS Registry Number: 107133-74-4
• SMILES: [C@@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](=S)(OC)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C11H16N5O6PS/c1-20-23(19,24)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,24)(H2,12,13,14)/t5-,7-,8-,11+,23?/m1/s1
• InChIKey: DWZSOXPWUCNSSW-ZAKKHMFKSA-N

Properties

• Density: 2.034g/cm³ (Cal.)
• Boiling point: 702.08°C at 760 mmHg (Cal.)
• Flash point: 378.405°C (Cal.)