9-[(2R,6R)-6-(Hydroxymethyl)-1,4-Oxathian-2-Yl]-3,9-Dihydro-6H-Purin-6-One
[CAS# 132062-70-5]

Identification

• Name: 9-[(2R,6R)-6-(Hydroxymethyl)-1,4-Oxathian-2-Yl]-3,9-Dihydro-6H-Purin-6-One
• Synonyms: 6H-Purin-6-one, 1,9-dihydro-9-(6-(hydroxymethyl)-1,4-oxathian-2-yl)-, (2R-cis)-; 6H-Purin-6-one, 1,9-dihydro-9-[6-(hydroxymethyl)-1,4-oxathian-2-yl]-, (2R-cis)-
• Molecular Formula: C₁₀H₁₂N₄O₃S
• Molecular Weight: 268.29
• CAS Registry Number: 132062-70-5
• SMILES: O=C2/N=C\Nc1n(cnc12)[C@@H]3O[C@@H](CSC3)CO
• InChI: 1S/C10H12N4O3S/c15-1-6-2-18-3-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7-/m1/s1
• InChIKey: QYSGOJUTOOBWML-RNFRBKRXSA-N

Properties

• Density: 1.805g/cm³ (Cal.)
• Boiling point: 647.784°C at 760 mmHg (Cal.)
• Flash point: 345.567°C (Cal.)
• Refractive index: 1.825 (Cal.)

References

• (1): G. Mazumder, M. De, S. K. Mazumder, A. Mukhopadhyay, A. K. Das and A. Van Aerschot. 9(R)-[6(R)-Hydroxymethyl-1-oxa-4-thiacyclohexan-2-yl]hypoxanthine-water (4/3), a nucleoside analogue, Acta Cryst. (2001). C57, 560-561