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5'-Guanylic acid, 8-amino- | 57460-97-6

Product name:5'-Guanylic acid, 8-amino-

CAS No:57460-97-6
MF:C10H15N6O8P
MW:378.2353
CID:345297
PubChem ID:136227056
Names and Identifiers
  • 5'-Guanylic acid, 8-amino-
  • [(2R,3S,4R,5R)-5-(2,8-diamino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • 57460-97-6
  • {[(2R,3S,4R,5R)-5-(2,8-diamino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
  • DTXSID20852927
  • ((2R,3S,4R,5R)-5-(2,8-Diamino-6-oxo-1H-purin-9(6H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
  • 8-Aminoguanosine 5'-(dihydrogen phosphate)
  • InChIKey:MCPHMTXYAWDBOA-UHFFFAOYSA-N
  • Inchi:InChI=1S/C10H15N6O8P/c11-9-14-6-3(7(19)15-9)13-10(12)16(6)8-5(18)4(17)2(24-8)1-23-25(20,21)22/h2,4-5,8,17-18H,1H2,(H2,12,13)(H2,20,21,22)(H3,11,14,15,19)
  • SMILES:OP(OCC1OC(N2C(N)=NC3C(NC(=NC2=3)N)=O)C(O)C1O)(O)=O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 378.06905
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 11
  • Rotatable Bond Count: 4
  • Monoisotopic Mass: 378.06889846g/mol
  • Heavy Atom Count: 25
  • Complexity: 629
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: -3.9
  • Topological Polar Surface Area: 228Ų

Experimental Properties

  • LogP: -2.71500
  • PSA: 227.77
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