6-Methylthiopurine Ribonucleoside-5'-Phosphate
[CAS# 7021-52-5]

Identification

• Name: 6-Methylthiopurine Ribonucleoside-5'-Phosphate
• Synonyms: [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(2-Methyl-6-Thioxo-3H-Purin-9-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(2-Methyl-6-Thioxo-3H-Purin-9-Yl)-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; 6-(Methylthio)-9-Beta-D-Ribofuranosyl-9H-Purine 5'-(Dihydrogen Phosphate)
• Molecular Formula: C₁₁H₁₅N₄O₇PS
• Molecular Weight: 378.30
• CAS Registry Number: 7021-52-5
• SMILES: [C@H]1(O)[C@@H](O[C@@H]([C@H]1O)CO[P](O)(O)=O)[N]2C3=C(N=C2)C(=S)N=C(N3)C
• InChI: 1S/C11H15N4O7PS/c1-4-13-9-6(10(24)14-4)12-3-15(9)11-8(17)7(16)5(22-11)2-21-23(18,19)20/h3,5,7-8,11,16-17H,2H2,1H3,(H,13,14,24)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1
• InChIKey: JZBDJXVVRLSRDO-IOSLPCCCSA-N

Properties

• Density: 2.14g/cm³ (Cal.)
• Boiling point: 811.092°C at 760 mmHg (Cal.)
• Flash point: 444.332°C (Cal.)