Cas no 1109-75-7 (5'-?Adenylic acid, 1-?(5-?O-?phosphono-?β-?D-?ribofuranosyl)?-)

5'-?Adenylic acid, 1-?(5-?O-?phosphono-?β-?D-?ribofuranosyl)?- structure
1109-75-7 structure
Product Name:5'-?Adenylic acid, 1-?(5-?O-?phosphono-?β-?D-?ribofuranosyl)?-
CAS No:1109-75-7
MF:C15H23N5O14P2
MW:559.32
CID:5146408
PubChem ID:11988267
Update Time:2024-03-01

5'-?Adenylic acid, 1-?(5-?O-?phosphono-?β-?D-?ribofuranosyl)?- Chemical and Physical Properties

Names and Identifiers

    • 5'-Adenylic acid, 1-(5-O-phosphono-β-D-ribofuranosyl)-
    • 1-(5-phospho-beta-D-ribofuranosyl)-5'-adenylic acid
    • 1-(5-O-phosphono-beta-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate)
    • CHEBI:18374
    • [(2R,3S,4R,5R)-5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6-iminopurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
    • phosphoribosyl-AMP
    • N1-(5-phospho-D-ribosyl)-AMP
    • 1-(5-Phosphoribosyl)-AMP
    • 1-(5-phospho-beta-D-ribosyl)-5'-AMP
    • SCHEMBL939116
    • N-(5-phospho-D-ribosyl)-AMP
    • N-(5'-phospho-D-ribosyl)-AMP
    • C02741
    • Q27103039
    • 5-phosphoribosyl-AMP
    • 1-(5-Phospho-beta-D-ribosyl)-AMP
    • 1-(5-phosphonato-beta-D-ribosyl)-5'-AMP tetraanion
    • 5'-?Adenylic acid, 1-?(5-?O-?phosphono-?β-?D-?ribofuranosyl)?-
    • Inchi: 1S/C15H23N5O14P2/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(33-14)1-31-35(25,26)27)20(3-17-7)15-11(24)9(22)6(34-15)2-32-36(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27)(H2,28,29,30)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
    • InChI Key: RTQMRTSPTLIIHM-KEOHHSTQSA-N
    • SMILES: [C@H]1([C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC2C(=N)N([C@@H]3O[C@H](COP(O)(=O)O)[C@H]([C@H]3O)O)C=NC=21)O

Computed Properties

  • Exact Mass: 559.07167442g/mol
  • Monoisotopic Mass: 559.07167442g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 8
  • Complexity: 963
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6.7
  • Topological Polar Surface Area: 290?2
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