(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydro-3-Furanyl [(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Hydrogen Phosphate (Non-Preferred Name)

Molecule SVG Image

Properties Simple | Detailed

Formula C19H25N8O11P
IUPAC Name [(2r,3as,5r,6r,6as)-2-[[(2r,3s,4r,5r)-5-[(5e)-4-cyano-5-cyanoimino-imidazol-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-6-hydroxy-2-oxo-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]-[(3-isocyanato-1-azoniacyclopropa-1,3-dien-2-yl)methyl]azanide; formaldehyde
Molecular Mass 572.423 g·mol−1
Heat of Formation -1907.4 ± 16.7 kJ·mol−1
Dipole Moment 7.87 ± 1.08 D
Volume 585.89 Å 3
Surface Area 474.61 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl] [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • adenosine, cytidylyl-(3'-5')- (8ci)(9ci)
  • cpa (van)
  • cytidine, adenylyl-(5'-3')-
  • cytidylyl adenosine
  • cytidylyl(3'.5')adenosine
InChIKey ZLVJWOGZEAIPAO-KPKSGTNCSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C P O N