(2S,3S,4S,5S,6R)-6-{[{[{[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H23N5O17P2
IUPAC Name (2s,3s,4s,5s,6r)-6-[[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Mass 619.325 g·mol−1
Heat of Formation -3459.3 ± 16.7 kJ·mol−1
Dipole Moment 7.08 ± 1.08 D
Volume 606.81 Å 3
Surface Area 497.42 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5s,6r)-6-[[[(2r,3s,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5s,6r)-6-[[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5s,6r)-6-[[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5s,6r)-6-[[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • gdx
  • guanosine 5'-(trihydrogen diphosphate), p'-d-mannopyranosyl ester
InChIKey DNBSDUDYNPJVCN-ZXTXFPBHSA-N
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