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Guanosine 5'-(pentahydrogen tetraphosphate) | 3369-85-5

Product name:Guanosine 5'-(pentahydrogen tetraphosphate)

CAS No:3369-85-5
MF:C10H17N5O17P4
MW:603.16048
CID:292699
PubChem ID:135462948
Names and Identifiers
  • Guanosine 5'-(pentahydrogen tetraphosphate)
  • [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
  • 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
  • guanylyltriphosphate
  • DTXSID50431764
  • 3369-85-5
  • CHEBI:191044
  • BKP
  • Guanosine 5'-tetraphosphate
  • SCHEMBL376139
  • [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
  • InChIKey:KDFXXNGTULMGMF-UHFFFAOYSA-N
  • Inchi:InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(29-9)1-28-34(22,23)31-36(26,27)32-35(24,25)30-33(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H,26,27)(H2,19,20,21)(H3,11,13,14,18)
  • SMILES:NC1NC(=O)C2=C(N(C3OC(COP(OP(OP(OP(=O)(O)O)(O)=O)(O)=O)(O)=O)C(O)C3O)C=N2)N=1
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 602.95711
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 19
  • Rotatable Bond Count: 10
  • Monoisotopic Mass: 602.95699208g/mol
  • Heavy Atom Count: 36
  • Complexity: 1100
  • 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: -6.8
  • Topological Polar Surface Area: 341Ų

Experimental Properties

  • PSA: 341.34
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