Adenosine 5'-Triphosphate 5'-Adenosine
[CAS# 5959-90-0]

Identification

• Name: Adenosine 5'-Triphosphate 5'-Adenosine
• Synonyms: Adenosine (5')Triphospho(5')Adenosine; Adenosine 5'-(Tetrahydrogen Triphosphate), P''-5'-Ester With Adenosine; Adenosine 5'-Triphosphate 5'-Adenosine
• Molecular Formula: C₂₀H₂₇N₁₀O₁₆P₃
• Molecular Weight: 756.41
• CAS Registry Number: 5959-90-0 (56432-02-1)
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](OC[C@H]4O[C@@H]([N]2C3=C(N=C2)C(=NC=N3)N)[C@H](O)[C@@H]4O)(=O)O)(=O)O)(=O)O)[N]5C6=C(N=C5)C(=NC=N6)N
• InChI: 1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
• InChIKey: QCICUPZZLIQAPA-XPWFQUROSA-N

Properties

• Density: 2.533g/cm³ (Cal.)
• Boiling point: 1192.843°C at 760 mmHg (Cal.)
• Flash point: 675.207°C (Cal.)