(8R,9R)-8-(6-Amino-8-Methylsulfanylpurin-9-Yl)-4-Hydroxy-4-Oxo-3,5,7-Trioxa-4-Phosphabicyclo[4.3.0]Nonan-9-Ol
[CAS# 30630-07-0]

Identification

• Name: (8R,9R)-8-(6-Amino-8-Methylsulfanylpurin-9-Yl)-4-Hydroxy-4-Oxo-3,5,7-Trioxa-4-Phosphabicyclo[4.3.0]Nonan-9-Ol
• Synonyms: (8R,9R)-8-(6-Amino-8-Methylsulfanyl-Purin-9-Yl)-4-Hydroxy-4-Oxo-3,5,7-Trioxa-4$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Ol; (8R,9R)-8-[6-Amino-8-(Methylthio)-9-Purinyl]-4-Hydroxy-4-Oxo-3,5,7-Trioxa-4$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Ol; (8R,9R)-8-[6-Amino-8-(Methylthio)Purin-9-Yl]-4-Hydroxy-4-Keto-3,5,7-Trioxa-4$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Ol
• Molecular Formula: C₁₁H₁₄N₅O₆PS
• Molecular Weight: 375.30
• CAS Registry Number: 30630-07-0
• SMILES: [C@H]2(OC1O[P](OCC1[C@H]2O)(=O)O)[N]3C4=C(N=C3SC)C(=NC=N4)N
• InChI: 1S/C11H14N5O6PS/c1-24-11-15-5-7(12)13-3-14-8(5)16(11)9-6(17)4-2-20-23(18,19)22-10(4)21-9/h3-4,6,9-10,17H,2H2,1H3,(H,18,19)(H2,12,13,14)/t4?,6-,9-,10?/m1/s1
• InChIKey: HDYHKWPWVLEDBZ-CYOXFXOYSA-N

Properties

• Density: 2.306g/cm³ (Cal.)
• Boiling point: 731.206°C at 760 mmHg (Cal.)
• Flash point: 396.019°C (Cal.)