Cas no 50447-10-4 (Adenosine, 2-ethoxy-)

Adenosine, 2-ethoxy- structure
Adenosine, 2-ethoxy- structure
Product Name:Adenosine, 2-ethoxy-
CAS No:50447-10-4
MF:C12H17N5O5
MW:311.293882131577
CID:1572442
Update Time:2024-08-24

Adenosine, 2-ethoxy- Chemical and Physical Properties

Names and Identifiers

    • Adenosine, 2-ethoxy-
    • Regadenoson Impurity 55
    • Regadenoson Impurity 44
    • Inchi： 1S/C12H17N5O5/c1-2-21-12-15-9(13)6-10(16-12)17(4-14-6)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,2-3H2,1H3,(H2,13,15,16)/t5-,7-,8-,11-/m1/s1
    • InChI Key： NFMJXEMKAVCGPF-IOSLPCCCSA-N
    • SMILES： OC[C@H]1O[C@@H](N2C3C(=C(N=C(OCC)N=3)N)N=C2)[C@H](O)[C@@H]1O

Computed Properties

  • Exact Mass: 311.12311

Experimental Properties

  • Density: 1.87±0.1 g/cm3(Predicted)
  • Melting Point: 197 °C
  • Boiling Point: 693.2±65.0 °C(Predicted)
  • PSA: 148.77
  • pka: 13.07±0.70(Predicted)

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