6-Thioguanine-alpha-2,3-Dideoxy-3-(Hydroxymethyl)-D-Erythro-Pentafuranose
[CAS# 69828-00-8]

Identification

• Name: 6-Thioguanine-alpha-2,3-Dideoxy-3-(Hydroxymethyl)-D-Erythro-Pentafuranose
• Synonyms: 2-Amino-9-[(2R,4R,5S)-4,5-Bis(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3H-Purine-6-Thione; 2-Amino-9-[(2R,4R,5S)-4,5-Bis(Hydroxymethyl)-2-Tetrahydrofuranyl]-3H-Purine-6-Thione; 2-Amino-9-[(2R,4R,5S)-4,5-Dimethyloltetrahydrofuran-2-Yl]-3H-Purine-6-Thione
• Molecular Formula: C₁₁H₁₅N₅O₃S
• Molecular Weight: 297.33
• CAS Registry Number: 69828-00-8
• SMILES: [C@@H]1(C[C@@H](O[C@@H]1CO)[N]2C=NC3=C2NC(=NC3=S)N)CO
• InChI: 1S/C11H15N5O3S/c12-11-14-9-8(10(20)15-11)13-4-16(9)7-1-5(2-17)6(3-18)19-7/h4-7,17-18H,1-3H2,(H3,12,14,15,20)/t5-,6-,7-/m1/s1
• InChIKey: JFXDHZJSWZPYOX-FSDSQADBSA-N

Properties

• Density: 1.91g/cm³ (Cal.)
• Boiling point: 677.021°C at 760 mmHg (Cal.)
• Flash point: 363.25°C (Cal.)