Cas no 128007-95-4 (Guanosine5'-(trihydrogen diphosphate),P'-[4-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2-hydroxy-3,4-dimercapto-3-buten-1-yl]ester)

Guanosine5'-(trihydrogen diphosphate),P'-[4-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2-hydroxy-3,4-dimercapto-3-buten-1-yl]ester structure
128007-95-4 structure
Product Name:Guanosine5'-(trihydrogen diphosphate),P'-[4-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2-hydroxy-3,4-dimercapto-3-buten-1-yl]ester
CAS No:128007-95-4
MF:C20H24N10O13P2S2
MW:738.541281700134
CID:150340
PubChem ID:135764854
Update Time:2025-04-19

Guanosine5'-(trihydrogen diphosphate),P'-[4-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2-hydroxy-3,4-dimercapto-3-buten-1-yl]ester Chemical and Physical Properties

Names and Identifiers

    • Guanosine5'-(trihydrogen diphosphate),P'-[4-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2-hydroxy-3,4-dimercapto-3-buten-1-yl]ester
    • [[4-(2-amino-4-oxo-5,8-dihydro-1H-pteridin-6-yl)-2-hydroxy-3,4-bis(sulfanylidene)butoxy]-hydroxyphosphoryl] [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
    • Guanosine5'-(trihydrogen diphosphate),P'-[4-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2-hydroxy-3,4-dimercapto-3-buten-1-yl]es
    • molybdopterin guanine dinucleotide
    • 2-amino-9-{5-O-[({[4-(2-amino-4-oxo-1,4,5,8-tetrahydropteridin-6-yl)-2-hydroxy-3,4-dithioxobutoxy](hydro
    • 5'-O-[{[{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
    • Guanosine 5'-(trihydrogen diphosphate), p'-(4-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2-hydroxy-3,4-dimercapto-3-butenyl) ester
    • 128007-95-4
    • 9-{5-O-[Hydroxy({hydroxy[2-hydroxy-4-(4-hydroxy-2-imino-1,2,5,8-tetrahydropteridin-6-yl)-3,4-bis(sulfanylidene)butoxy]phosphoryl}oxy)phosphoryl]pentofuranosyl}-2-imino-3,9-dihydro-2H-purin-6-ol
    • DTXSID40926053
    • Inchi: 1S/C20H24N10O13P2S2/c21-19-26-14-8(16(34)28-19)25-5(1-23-14)12(46)13(47)6(31)2-40-44(36,37)43-45(38,39)41-3-7-10(32)11(33)18(42-7)30-4-24-9-15(30)27-20(22)29-17(9)35/h1,4,6-7,10-11,18,31-33,46-47H,2-3H2,(H,36,37)(H,38,39)(H3,22,27,29,35)(H3,21,23,26,28,34)/b13-12+
    • InChI Key: BQRWHFIYTDHAGA-OUKQBFOZSA-N
    • SMILES: S/C(=C(\C1C=NC2=C(C(NC(N)=N2)=O)N=1)/S)/C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(N2C=NC3C(NC(N)=NC2=3)=O)O1)O)O)O

Computed Properties

  • Exact Mass: 738.04442
  • Monoisotopic Mass: 738.04409720g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 47
  • Rotatable Bond Count: 12
  • Complexity: 1610
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 1001
  • XLogP3: -5.9
  • Topological Polar Surface Area: 353?2

Experimental Properties

  • PSA: 349.05

Guanosine5'-(trihydrogen diphosphate),P'-[4-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2-hydroxy-3,4-dimercapto-3-buten-1-yl]ester Related Literature

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