Cas no 18276-11-4 (1H-Purine-2,6,8(3H)-trione,7,9-dihydro-, ammoniate (1:?))

1H-Purine-2,6,8(3H)-trione,7,9-dihydro-, ammoniate (1:?) structure
18276-11-4 structure
Product Name:1H-Purine-2,6,8(3H)-trione,7,9-dihydro-, ammoniate (1:?)
CAS No:18276-11-4
MF:C5H7N5O3
MW:185.140779733658
CID:122897
PubChem ID:80110
Update Time:2025-04-18

1H-Purine-2,6,8(3H)-trione,7,9-dihydro-, ammoniate (1:?) Chemical and Physical Properties

Names and Identifiers

    • 1H-Purine-2,6,8(3H)-trione,7,9-dihydro-, ammoniate (1:?)
    • AMMONIUM URATE
    • AMMONIUM ACID URATE
    • URIC ACID,AMMONIUM SALT
    • URIC ACID, AMMONIUM SALT
    • 6009-66-1
    • DTXSID6064082
    • 18276-11-4
    • EINECS 227-862-2
    • SCHEMBL925499
    • SCHEMBL1071965
    • FOFYPMPFTYORPL-UHFFFAOYSA-N
    • 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, ammonium salt (1:1)
    • azane;7,9-dihydro-3H-purine-2,6,8-trione
    • 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, monoammonium salt
    • Inchi: 1S/C5H4N4O3.H3N/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;/h(H4,6,7,8,9,10,11,12);1H3
    • InChI Key: FOFYPMPFTYORPL-UHFFFAOYSA-N
    • SMILES: O=C1C2=C(NC(N1)=O)NC(N2)=O.N

Computed Properties

  • Exact Mass: 185.05500
  • Monoisotopic Mass: 185.05488910g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 332
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 100?2

Experimental Properties

  • PSA: 117.61000
  • LogP: -1.44330
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