Cas no 56878-14-9 (5'-Adenylic acid, 8-[(2-aminoethyl)amino]-)

5'-Adenylic acid, 8-[(2-aminoethyl)amino]- structure
56878-14-9 structure
Product Name:5'-Adenylic acid, 8-[(2-aminoethyl)amino]-
CAS No:56878-14-9
MF:C12H20N7O7P
MW:405.30366230011
CID:347591
PubChem ID:22823186
Update Time:2025-04-19

5'-Adenylic acid, 8-[(2-aminoethyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • 5'-Adenylic acid, 8-[(2-aminoethyl)amino]-
    • [(2R,3S,4R,5R)-5-[6-amino-8-(2-aminoethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
    • DTXSID30628438
    • 8-[(2-Aminoethyl)amino]adenosine 5'-(dihydrogen phosphate)
    • {[(2R,3S,4R,5R)-5-{6-amino-8-[(2-aminoethyl)amino]-9H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
    • SCHEMBL10686147
    • WXNIQNMNWFNCIG-IOSLPCCCSA-N
    • 8-(2-aminoethyl)aminoadenosine-5'-monophosphate
    • 56878-14-9
    • ((2R,3S,4R,5R)-5-(6-Amino-8-((2-aminoethyl)amino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
    • Inchi： 1S/C12H20N7O7P/c13-1-2-15-12-18-6-9(14)16-4-17-10(6)19(12)11-8(21)7(20)5(26-11)3-25-27(22,23)24/h4-5,7-8,11,20-21H,1-3,13H2,(H,15,18)(H2,14,16,17)(H2,22,23,24)/t5-,7-,8-,11-/m1/s1
    • InChI Key： WXNIQNMNWFNCIG-IOSLPCCCSA-N
    • SMILES： P(=O)(O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C3=C(C(N)=NC=N3)N=C2NCCN)O1)O)O

Computed Properties

  • Exact Mass: 405.1164
  • Monoisotopic Mass: 405.11618300g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 7
  • Complexity: 556
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6.4
  • Topological Polar Surface Area: 224?2

Experimental Properties

  • PSA: 224.12
  • LogP: -1.78900

5'-Adenylic acid, 8-[(2-aminoethyl)amino]- Related Literature

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