Cas no 58083-94-6 (Adenosine 5'-(trihydrogen diphosphate), 1,2-dihydro-2-oxo-)

Adenosine 5'-(trihydrogen diphosphate), 1,2-dihydro-2-oxo- structure
58083-94-6 structure
Product Name:Adenosine 5'-(trihydrogen diphosphate), 1,2-dihydro-2-oxo-
CAS No:58083-94-6
MF:C10H15N5O11P2
MW:443.200523614883
CID:343179
Update Time:2024-01-28

Adenosine 5'-(trihydrogen diphosphate), 1,2-dihydro-2-oxo- Chemical and Physical Properties

Names and Identifiers

    • Adenosine 5'-(trihydrogen diphosphate), 1,2-dihydro-2-oxo-
    • Adenosine 5'-(trihydrogen diphosphate), 2,3-dihydro-2-oxo-
    • Inchi: 1S/C10H15N5O11P2/c11-7-4-8(14-10(18)13-7)15(2-12-4)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
    • InChI Key: AATRNUWTQYXBNY-UUOKFMHZSA-N
    • SMILES: C(OP(=O)(O)OP(O)(O)=O)[C@H]1O[C@@H](N2C3=C(C(=NC(=O)N3)N)N=C2)[C@H](O)[C@@H]1O

Computed Properties

  • Exact Mass: 443.02445

Experimental Properties

  • Density: 2.63±0.1 g/cm3(Predicted)
  • PSA: 246.06
  • pka: 1.39±0.10(Predicted)

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