Cas no 113960-50-2 (Adenosine, cyclic 3,5-(hydrogenphosphate), compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1))

Adenosine, cyclic 3,5-(hydrogenphosphate), compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1) structure
113960-50-2 structure
Product Name:Adenosine, cyclic 3,5-(hydrogenphosphate), compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
CAS No:113960-50-2
MF:C17H29N6O11P
MW:524.419524908066
CID:197972
PubChem ID:24832745
Update Time:2025-04-19

Adenosine, cyclic 3,5-(hydrogenphosphate), compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1) Chemical and Physical Properties

Names and Identifiers

    • Adenosine, cyclic 3,5-(hydrogenphosphate), compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
    • [(2R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-2,5-dihydro-2-furany l]methyl dihydrogen phosphate - 6-deoxy-6-(methylamino)-D-glucito l (1:1)
    • meglumine cyclic adenylate
    • [(2R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate - 6-deoxy-6-(methylamino)-D-glucitol (1:1)
    • Adenosine, cyclic 3',5'-(hydrogenphosphate), compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
    • MEGLUMINE ADENOSINE CYCLOPHOSPHATE
    • A7HJD8J7F7
    • (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
    • UNII-A7HJD8J7F7
    • MEGLUMINE CYCLIC ADENOSINE MONOPHOSPHATE
    • MEGLUMINE CAMP
    • ADENOSINE 3',5'-CYCLOPHOSPHATE MEGLUMINE SALT
    • [(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate;(2S,3R,4R,5R)-6-(methylamino)hexane-1,2,3,4,5-pentol
    • ADENOSINE CYCLIC PHOSPHATE MEGLUMINE
    • MEGLUMINE ADENOSINE CYCLOPHOSPHATE [WHO-DD]
    • 113960-50-2
    • Inchi: 1S/C10H12N5O6P.C7H17NO5/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13);4-13H,2-3H2,1H3/t4-,6-,7-,10-;4-,5+,6+,7+/m10/s1
    • InChI Key: HYMXALLEHXXORK-HTDNVCFESA-N
    • SMILES: P1(=O)(O)OC[C@@H]2[C@H]([C@H]([C@H](N3C=NC4C(N)=NC=NC3=4)O2)O)O1.O[C@H]([C@H](CNC)O)[C@@H]([C@@H](CO)O)O

Computed Properties

  • Exact Mass: 524.16337
  • Monoisotopic Mass: 524.16319276g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 7
  • Complexity: 633
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 268?2

Experimental Properties

  • PSA: 279.02
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