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

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Properties Simple | Detailed

Formula C20H27N10O13P2S2
IUPAC Name [[(5ar,8r,9ar)-2-amino-4-oxo-6,7-bis(sulfanyl)-3,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-1-ium-4a-id-8-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 741.565 g·mol−1
Heat of Formation -2421.1 ± 16.7 kJ·mol−1
Dipole Moment 7.37 ± 1.08 D
Volume 737.02 Å 3
Surface Area 601.16 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-o-[{[({[(5ar,8r,9ar)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4h-pyrano[3,2-g]pteridin-8-yl]methyl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
  • [[(5ar,8r,9ar)-2-amino-4-keto-6,7-dimercapto-1,5,5a,8,9a,10-hexahydropyrano[5,6-g]pteridin-8-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [[(5ar,8r,9ar)-2-amino-4-oxo-6,7-bis-sulfanyl-1,5,5a,8,9a,10-hexahydropyrano[5,6-g]pteridin-8-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [[(5ar,8r,9ar)-2-amino-4-oxo-6,7-bis-sulfanyl-1,5,5a,8,9a,10-hexahydropyrano[5,6-g]pteridin-8-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [[(5ar,8r,9ar)-2-amino-6,7-dimercapto-4-oxo-1,5,5a,8,9a,10-hexahydropyrano[5,6-g]pteridin-8-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • dtpp-mgdp
  • guanosine-5'-diphosphate pterin moiety of molybdopterin guanosine dinucleotide
  • h2dtpp-mgdp
InChIKey VQAGYJCYOLHZDH-ILXWUORBSA-N
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