Poly(2'-Methylthioadenylic Acid)
[CAS# 70804-88-5]

Identification

• Name: Poly(2'-Methylthioadenylic Acid)
• Synonyms: [(2R,3S,4R,5R)-5-(6-Amino-2-Methylsulfanyl-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-[6-Amino-2-(Methylthio)-9-Purinyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-[6-Amino-2-(Methylthio)Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₁H₁₆N₅O₇PS
• Molecular Weight: 393.31
• CAS Registry Number: 70804-88-5
• SMILES: [C@H]3([N]2C1=C(C(=NC(=N1)SC)N)N=C2)[C@@H]([C@H](O)[C@H](O3)CO[P](=O)(O)O)O
• InChI: 1S/C11H16N5O7PS/c1-25-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
• InChIKey: XVTFTCNRRAQHEQ-KQYNXXCUSA-N

Properties

• Density: 2.193g/cm³ (Cal.)
• Boiling point: 861.308°C at 760 mmHg (Cal.)
• Flash point: 474.702°C (Cal.)