(2S-trans)-5-[6-(Methylamino)-9H-Purin-9-Yl]-1,3-Oxathiolane-2-Methanol
[CAS# 149819-63-6]

Identification

• Name: (2S-trans)-5-[6-(Methylamino)-9H-Purin-9-Yl]-1,3-Oxathiolane-2-Methanol
• Synonyms: [(2S,5S)-5-(6-Methylamino-9-Purinyl)-1,3-Oxathiolan-2-Yl]Methanol; (-)-(2S,5S)-N^6-Methyl-[2-(Hydroxymethyl)-1,3-Oxathiolan-5-Yl]Adenine; 1,3-Oxathiolane-2-Methanol, 5-[6-(Methylamino)-9H-Purin-9-Yl]-, (2S-Trans)-
• Molecular Formula: C₁₀H₁₃N₅O₂S
• Molecular Weight: 267.31
• CAS Registry Number: 149819-63-6
• SMILES: [C@H]3([N]1C2=C(N=C1)C(=NC=N2)NC)O[C@@H](SC3)CO
• InChI: 1S/C10H13N5O2S/c1-11-9-8-10(13-4-12-9)15(5-14-8)6-3-18-7(2-16)17-6/h4-7,16H,2-3H2,1H3,(H,11,12,13)/t6-,7-/m0/s1
• InChIKey: QFAQTIDGHOEKQI-BQBZGAKWSA-N

Properties

• Density: 1.723g/cm³ (Cal.)
• Boiling point: 582.759°C at 760 mmHg (Cal.)
• Flash point: 306.242°C (Cal.)