2-Methylthioadenosine Triphosphate Tetrasodium
[CAS# 43170-89-4]

Identification

• Name: 2-Methylthioadenosine Triphosphate Tetrasodium
• Synonyms: [(2R,3S,4R)-5-(6-Amino-2-Methylsulfanyl-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R)-5-[6-Amino-2-(Methylthio)-9-Purinyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4R)-5-[6-Amino-2-(Methylthio)Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₁H₁₈N₅O₁₃P₃S
• Molecular Weight: 553.27
• CAS Registry Number: 43170-89-4
• SMILES: [C@H]1([C@@H]([C@H](OC1[N]2C=NC3=C2N=C(N=C3N)SC)CO[P](O[P](O)(O[P](O)(=O)O)=O)(=O)O)O)O
• InChI: 1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10?/m1/s1
• InChIKey: XNOBOKJVOTYSJV-VTHZCTBJSA-N

Properties

• Density: 2.492g/cm³ (Cal.)
• Boiling point: 1006.329°C at 760 mmHg (Cal.)
• Flash point: 562.408°C (Cal.)