Cas no 108347-94-0 (2'-Adenylic acid,5'-(dihydrogen phosphate), disodium salt (9CI))

2'-Adenylic acid,5'-(dihydrogen phosphate), disodium salt (9CI) structure
108347-94-0 structure
Product Name:2'-Adenylic acid,5'-(dihydrogen phosphate), disodium salt (9CI)
CAS No:108347-94-0
MF:C10H15N5NaO10P2
MW:450.190894365311
CID:127978
PubChem ID:16218927
Update Time:2025-04-18

2'-Adenylic acid,5'-(dihydrogen phosphate), disodium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2'-Adenylic acid,5'-(dihydrogen phosphate), disodium salt (9CI)
    • ADENOSINE 2',5'-DIPHOSPHATE SODIUM SALT
    • 2'-PHOSPHOADENOSINE 5'-PHOSPHATE
    • ADENOSINE 2',5'-DIPHOSPHATE
    • adenosine 2',5'-diphosphate sodium
    • Adenosine 2`,5`-diphosphate disodiuM salt
    • 2'-PAP-
    • 108347-94-0
    • CID 16218927
    • FT-0642655
    • 9-(2,5-Di-O-phosphonopentofuranosyl)-9H-purin-6-amine--sodium (1/1)
    • DTXSID40910694
    • Inchi: 1S/C10H15N5O10P2.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19;/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22);
    • InChI Key: OHPUPSOOFQPMRP-UHFFFAOYSA-N
    • SMILES: P(=O)(O)(O)OC1C(N2C=NC3C(N)=NC=NC2=3)OC(COP(=O)(O)O)C1O.[Na]

Computed Properties

  • Exact Mass: 470.99300
  • Monoisotopic Mass: 450.01918497g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 6
  • Complexity: 632
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 233?2

Experimental Properties

  • PSA: 257.88000
  • LogP: -0.28840

2'-Adenylic acid,5'-(dihydrogen phosphate), disodium salt (9CI) Security Information

  • WGK Germany:3
  • Storage Condition:?20°C
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