Adenosine-5'-trimetaphosphate
[CAS# 53355-60-5]

Identification

• Name: Adenosine-5'-trimetaphosphate
• Synonyms: (2R,3R,4S,5R)-2-(6-Aminopurin-9-Yl)-5-[(4,6-Dihydroxy-2,4,6-Trioxo-1,3,5-Trioxa-2$L^{5},4$L^{5},6$L^{5}-Triphosphacyclohex-2-Yl)Oxymethyl]Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-(6-Amino-9-Purinyl)-5-[(4,6-Dihydroxy-2,4,6-Trioxo-1,3,5-Trioxa-2$L^{5},4$L^{5},6$L^{5}-Triphosphacyclohex-2-Yl)Oxymethyl]Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-(6-Aminopurin-9-Yl)-5-[(4,6-Dihydroxy-2,4,6-Triketo-1,3,5-Trioxa-2$L^{5},4$L^{5},6$L^{5}-Triphosphacyclohex-2-Yl)Oxymethyl]Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₀H₁₄N₅O₁₂P₃
• Molecular Weight: 489.17
• CAS Registry Number: 53355-60-5
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P]2(O[P](O[P](O2)(=O)O)(=O)O)=O)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C10H14N5O12P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-30(22)26-28(18,19)25-29(20,21)27-30/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
• InChIKey: AJXBDVJYPUYBBS-KQYNXXCUSA-N

Properties

• Density: 2.782g/cm³ (Cal.)
• Boiling point: 831.377°C at 760 mmHg (Cal.)
• Flash point: 456.601°C (Cal.)