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Guanosine 5'-(trihydrogen diphosphate), 2'-O-methyl- | 62950-38-3

Product name:Guanosine 5'-(trihydrogen diphosphate), 2'-O-methyl-

CAS No:62950-38-3
MF:C11H17N5O11P2
MW:457.22718
CID:428379
PubChem ID:146373762
Names and Identifiers
  • Guanosine 5'-(trihydrogen diphosphate), 2'-O-methyl-
  • 62950-38-3
  • ((2R,3R,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-hydroxy-4-methoxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
  • SCHEMBL21715305
  • InChIKey:FKKDQGMOLFLFBW-KQYNXXCUSA-N
  • Inchi:InChI=1S/C11H17N5O11P2/c1-24-7-6(17)4(2-25-29(22,23)27-28(19,20)21)26-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H,22,23)(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1
  • SMILES:COC1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)O)O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 457.04011
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 13
  • Rotatable Bond Count: 7
  • Monoisotopic Mass: 457.03998037g/mol
  • Heavy Atom Count: 29
  • Complexity: 776
  • 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: -4.1
  • Topological Polar Surface Area: 237Ų

Experimental Properties

  • PSA: 237.28
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