Poly(2'-Ethylthioadenylic Acid)
[CAS# 70804-86-3]

Identification

• Name: Poly(2'-Ethylthioadenylic Acid)
• Synonyms: [(2R,3S,4R,5R)-5-(6-Amino-2-Ethylsulfanyl-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-[6-Amino-2-(Ethylthio)-9-Purinyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-[6-Amino-2-(Ethylthio)Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₂H₁₈N₅O₇PS
• Molecular Weight: 407.34
• CAS Registry Number: 70804-86-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](=O)(O)O)[N]2C3=C(N=C2)C(=NC(=N3)SCC)N
• InChI: 1S/C12H18N5O7PS/c1-2-26-12-15-9(13)6-10(16-12)17(4-14-6)11-8(19)7(18)5(24-11)3-23-25(20,21)22/h4-5,7-8,11,18-19H,2-3H2,1H3,(H2,13,15,16)(H2,20,21,22)/t5-,7-,8-,11-/m1/s1
• InChIKey: KSEHCVZYQVNMHL-IOSLPCCCSA-N

Properties

• Density: 2.085g/cm³ (Cal.)
• Boiling point: 846.895°C at 760 mmHg (Cal.)
• Flash point: 465.986°C (Cal.)