(2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydro-3-Furanyl]Oxy}(Hydroxy)Phosphoryl]Oxy}Methyl)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-4-Hydroxytetrahydro-3-Furanyl Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C19H24N7O16P2
IUPAC Name [(2r,3s,4r,5r)-5-(2,6-dioxo-4,5-dihydropyrimidin-1-ium-4-ylium-5-id-3-yl)-2-[[[(2r,3s,4r,5r)-5-(2-λ1-azanyl-6-oxo-purine-1,3-diium-9-yl)-4-oxido-2-(oxidomethyl)tetrahydrofuran-3-yl]oxy-oxido-phosphoryl]oxymethyl]-4-oxido-tetrahydrofuran-4,5-diid-3-yl] phosphate
Molecular Mass 668.379 g·mol−1
Heat of Formation -3188.4 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 666.46 Å 3
Surface Area 521.56 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-uridylic acid, guanylyl-(3'-5')-
  • [(2r,3s,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] [(2r,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl] [(2r,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-phosphonooxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • gpup
  • guanylyl(3'-5')uridine 3'-monophosphate
CAS Number(s)
  • 2240-05-3
InChIKey SCYWPRVCHZCAAB-VMIOUTBZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C P O N