Cas no 33009-07-3 ([(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium)

[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium structure
33009-07-3 structure
Product Name:[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium
CAS No:33009-07-3
MF:C20H25N10O12P2
MW:659.419824361801
CID:872755
Update Time:2023-08-02

[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium Chemical and Physical Properties

Names and Identifiers

    • Adenosine, adenylyl-(3'.5')-, mono(hydrogen phosphonate) (ester)
    • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium
    • 3'-O-(5'-Adenylyl)adenosine 5'-phosphonate
    • Adenosine,adenylyl-(3'->5')-,mono(hydrogen phosphonate)(ester)
    • [(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium
    • Inchi： 1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)11(31)7(40-19)2-39-44(36,37)42-14-8(1-38-43(34)35)41-20(13(14)33)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-33H,1-2H2,(H5-,21,22,23,24,25,26,34,35,36,37)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
    • InChI Key： LJUGVKIDJNWHOP-XPWFQUROSA-O
    • SMILES： P(=O)(O)(OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O)O[C@@H]1[C@@H](CO[P+](=O)O)O[C@H]([C@@H]1O)N1C=NC2C(N)=NC=NC1=2

Computed Properties

  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 20
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 10
  • Complexity: 1090
  • XLogP3: -4.9
  • Topological Polar Surface Area: 321

[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium Related Literature

33009-07-3 ([(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium) Related Products

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