Cas no 113903-19-8 (Chromate(1-),tetraaqua[guanosine 5'-(triphosphato)(4-)-OP',OP'']-, hydrogen, (OC-6-33)-(9CI))

Chromate(1-),tetraaqua[guanosine 5'-(triphosphato)(4-)-OP',OP'']-, hydrogen, (OC-6-33)-(9CI) structure
113903-19-8 structure
Product Name:Chromate(1-),tetraaqua[guanosine 5'-(triphosphato)(4-)-OP',OP'']-, hydrogen, (OC-6-33)-(9CI)
CAS No:113903-19-8
MF:C10H21CrN5O18P3
MW:644.21382689476
CID:144910
PubChem ID:135600347
Update Time:2025-04-19

Chromate(1-),tetraaqua[guanosine 5'-(triphosphato)(4-)-OP',OP'']-, hydrogen, (OC-6-33)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Chromate(1-),tetraaqua[guanosine 5'-(triphosphato)(4-)-OP',OP'']-, hydrogen, (OC-6-33)-(9CI)
    • [[[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate,chromium(3+),hydron,tetrahydrate
    • 2-amino-9-[3,4-dihydroxy-5-[[oxido-(oxido-phosphonatooxy-phosphoryl)ox y-phosphoryl]oxymethyl]oxolan-2-yl]-3H-purin-6-one, chromium(+3) catio n, hydrogen(+1) cation, tetrahydrate
    • chromium (III) beta,gamma-bidentate guanosine triphosphate
    • chromium(3+) hydrogen 2-amino-9-[5-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)pentofuranosyl]-3,9-dihydro-6H-purin-6-one tetrahydrate
    • 113903-19-8
    • Chromate(1-), tetraaqua(guanosine 5'-(triphosphato)(4-)-OP',OP'')-, hydrogen, (OC-6-33)-
    • 2-amino-9-[3,4-dihydroxy-5-[[oxido-(oxido-phosphonatooxy-phosphoryl)ox y-phosphoryl]oxymethyl]oxolan
    • [[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;chromium(3+);hydron;tetrahydrate
    • Cr(III) b,g,B-GTP
    • [[[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;chromium(3+);hydron;tetrahydrate
    • Inchi： 1S/C10H16N5O14P3.Cr.4H2O/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;;;;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18);;4*1H2/q;+3;;;;/p-3
    • InChI Key： JXZFEJCQDVWVQU-UHFFFAOYSA-K
    • SMILES： [Cr+3].P(=O)([O-])(OP(=O)([O-])OP(=O)([O-])[O-])OCC1C(C(C(N2C=NC3C(NC(N)=NC2=3)=O)O1)O)O.O.O.O.O.[H+]

Computed Properties

  • Exact Mass: 641.95553
  • Monoisotopic Mass: 643.95
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 7
  • Complexity: 899
  • 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: 310?2

Experimental Properties

  • Density: g/cm3
  • Boiling Point: 1028.3°Cat760mmHg
  • Flash Point: 575.7°C
  • PSA: 432.13
  • LogP: -0.93590

Chromate(1-),tetraaqua[guanosine 5'-(triphosphato)(4-)-OP',OP'']-, hydrogen, (OC-6-33)-(9CI) Related Literature

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