[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydro-3-Furanyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C20H25N10O12P
IUPAC Name [(2r,3s,4r,5r)-5-(2-λ1-azanyl-6-oxo-purine-1,3-diium-9-yl)-3,4-dioxido-tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(2-λ1-azanyl-6-oxo-purine-1,3-diium-9-yl)-4-oxido-2-(oxidomethyl)tetrahydrofuran-3-yl] phosphate
Molecular Mass 628.446 g·mol−1
Heat of Formation -1971.7 ± 16.7 kJ·mol−1
Dipole Moment 7.77 ± 1.08 D
Volume 638.84 Å 3
Surface Area 521.31 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • guanylyl-(3'-5')-guanosine
  • guanylyl-(3'.5')-guanosine
  • phosphoric acid 5-(2-amino-6-oxo-1,6-dihydro-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester 5-(2-amino-6-oxo-1,6-dihydro-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl ester
  • rgprg
CAS Number(s)
  • 3353-33-1
InChIKey MNXLMHSUERRXOE-MHARETSRSA-N
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