Cas no 63193-98-6 (Adenosine 5'-(trihydrogen diphosphate),2'-deoxy-3'-O-(1-methoxyethyl)-)

Adenosine 5'-(trihydrogen diphosphate),2'-deoxy-3'-O-(1-methoxyethyl)- structure
63193-98-6 structure
Product Name:Adenosine 5'-(trihydrogen diphosphate),2'-deoxy-3'-O-(1-methoxyethyl)-
CAS No:63193-98-6
MF:C13H21N5O10P2
MW:469.280864477158
CID:427044
Update Time:2024-01-29

Adenosine 5'-(trihydrogen diphosphate),2'-deoxy-3'-O-(1-methoxyethyl)- Chemical and Physical Properties

Names and Identifiers

    • Adenosine 5'-(trihydrogen diphosphate),2'-deoxy-3'-O-(1-methoxyethyl)-
    • Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-3'-O-(1-methoxyethyl)- (9CI)
    • Inchi: 1S/C13H21N5O10P2/c1-7(24-2)26-8-3-10(18-6-17-11-12(14)15-5-16-13(11)18)27-9(8)4-25-30(22,23)28-29(19,20)21/h5-10H,3-4H2,1-2H3,(H,22,23)(H2,14,15,16)(H2,19,20,21)/t7?,8-,9+,10+/m0/s1
    • InChI Key: SXHHMNIDXZFNQN-HCZOVWHVSA-N
    • SMILES: C(OP(=O)(O)OP(O)(O)=O)[C@H]1O[C@@H](N2C3C(=C(N=CN=3)N)N=C2)C[C@@H]1OC(OC)C

Computed Properties

  • Exact Mass: 469.07653

Experimental Properties

  • Density: 1.98±0.1 g/cm3(Predicted)
  • Boiling Point: 753.0±70.0 °C(Predicted)
  • PSA: 210.6
  • pka: 1.04±0.50(Predicted)
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