Cas no 117405-91-1 (Rhodate(1-), [adenosine5'-(triphosphato)(4-)-kOP',kOP'']tetraaqua-, hydrogen,[OC-6-33-(S)]- (9CI))

Rhodate(1-), [adenosine5'-(triphosphato)(4-)-kOP',kOP'']tetraaqua-, hydrogen,[OC-6-33-(S)]- (9CI) structure
117405-91-1 structure
Product Name:Rhodate(1-), [adenosine5'-(triphosphato)(4-)-kOP',kOP'']tetraaqua-, hydrogen,[OC-6-33-(S)]- (9CI)
CAS No:117405-91-1
MF:C10H21N5O17P3Rh
MW:679.123827695847
CID:161550
PubChem ID:3082848
Update Time:2025-04-19

Rhodate(1-), [adenosine5'-(triphosphato)(4-)-kOP',kOP'']tetraaqua-, hydrogen,[OC-6-33-(S)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Rhodate(1-), [adenosine5'-(triphosphato)(4-)-kOP',kOP'']tetraaqua-, hydrogen,[OC-6-33-(S)]- (9CI)
    • [[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate,hydron,rhodium(3+),tetrahydrate
    • bidentate tetraaquarhodium adenosine 5'-triphosphate complex
    • Rhodate(1-), [adenosine5'-(triphosphato)(4-)-kOP',kOP'']tetraaqua-, hydrogen,[OC-6-33-(S)]- (9...
    • beta,gamma-Bidentate Rh(H2O)4ATP
    • hydrogen rhodium(3+) 9-[5-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)pentofuranosyl]-9H-purin-6-amine tetrahydrate
    • Rh(H2O)4ATP
    • Rhodate(1-), (adenosine 5'-(triphosphato)(4-)-kappa OP',Kappa OP'')tetraaqua-, hydrogen, (OC-6-33-(S))-
    • Rhodate(1-), (adenosine 5'-(triphosphato)(4-)-kappaOP',KappaOP'')tetraaqua-, hydrogen, (OC-6-33-(S))-
    • 117405-91-1
    • [[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;hydron;rhodium(3+);tetrahydrate
    • Inchi： 1S/C10H16N5O13P3.4H2O.Rh/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);4*1H2;/q;;;;;+3/p-3
    • InChI Key： CGQMMOVZOZHALB-UHFFFAOYSA-K
    • SMILES： [Rh+3].P(=O)([O-])(OP(=O)([O-])OP(=O)([O-])[O-])OCC1C(C(C(N2C=NC3C(N)=NC=NC2=3)O1)O)O.O.O.O.O.[H+]

Computed Properties

  • Exact Mass: 678.92063
  • Monoisotopic Mass: 678.92002g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 21
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 7
  • Complexity: 772
  • Covalently-Bonded Unit Count: 7
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 294?2

Experimental Properties

  • PSA: 416.45

Rhodate(1-), [adenosine5'-(triphosphato)(4-)-kOP',kOP'']tetraaqua-, hydrogen,[OC-6-33-(S)]- (9CI) Related Literature

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