2-(Methylthio)-Adenosine 5'-Trihydrogen Diphosphate Trisodium
[CAS# 34983-48-7]

Identification

• Name: 2-(Methylthio)-Adenosine 5'-Trihydrogen Diphosphate Trisodium
• Synonyms: [(2R,3S,4R,5R)-5-(6-Amino-2-Methylsulfanyl-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-[6-Amino-2-(Methylthio)-9-Purinyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-[6-Amino-2-(Methylthio)Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₁H₁₇N₅O₁₀P₂S
• Molecular Weight: 473.29
• CAS Registry Number: 34983-48-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](=O)(O)O)(=O)O)[N]2C3=C(N=C2)C(=NC(=N3)SC)N
• InChI: 1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
• InChIKey: WLMZTKAZJUWXCB-KQYNXXCUSA-N

Properties

• Density: 2.358g/cm³ (Cal.)
• Boiling point: 936.14°C at 760 mmHg (Cal.)
• Flash point: 519.959°C (Cal.)