Aza-epsilon-Atp
[CAS# 50663-89-3]

Identification

• Name: Aza-epsilon-Atp
• Synonyms: 2-Aza-1,N6-Etheno Atp; 2-Aza-1,N6-Etheno-Adenosine Triphosphate; 3H-Diimidazo(1,2-C:4',5'-E)(1,2,3)Triazine, 3-(5-O-(Hydroxy((Hydroxy(Phosphonooxy)Phosphinyl)Oxy)Phosphinyl)-Beta-D-Ribofuranosyl)-
• Molecular Formula: C₁₁H₁₅N₆O₁₃P₃
• Molecular Weight: 532.19
• CAS Registry Number: 50663-89-3
• SMILES: [C@H]4([N]3C2=C(C1=NC=C[N]1N=N2)N=C3)[C@H](O)[C@H](O)[C@H](O4)CO[P](=O)(O[P](=O)(O[P](=O)(O)O)O)O
• InChI: 1S/C11H15N6O13P3/c18-7-5(3-27-32(23,24)30-33(25,26)29-31(20,21)22)28-11(8(7)19)16-4-13-6-9-12-1-2-17(9)15-14-10(6)16/h1-2,4-5,7-8,11,18-19H,3H2,(H,23,24)(H,25,26)(H2,20,21,22)/t5-,7-,8-,11-/m1/s1
• InChIKey: WRRKCDBMZMTATQ-IOSLPCCCSA-N

Properties

• Density: 2.68g/cm³ (Cal.)