5'-O-[{[{[(3R,4R)-1-(3-Carbamoylbenzyl)-4-Hydroxy-3-Pyrrolidinyl]Methoxy}(Hydroxy)Phosphoryl]Methyl}(Hydroxy)Phosphoryl]Adenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C24H33N7O11P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[[(3r,4r)-1-[(3-carbamoylphenyl)methyl]-4-hydroxy-pyrrolidin-3-yl]methoxy-hydroxy-phosphoryl]methyl]phosphinic acid
Molecular Mass 657.507 g·mol−1
Heat of Formation -2150.6 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 703.97 Å 3
Surface Area 537.96 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • [(3r,4r)-1-[(3-aminocarbonylphenyl)methyl]-4-hydroxy-pyrrolidin-3-yl]methoxy-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]methyl]phosphinic acid
  • [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]methyl-[[(3r,4r)-1-[(3-carbamoylphenyl)methyl]-4-hydroxy-3-pyrrolidinyl]methoxy]phosphinic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methyl-[[(3r,4r)-1-(3-carbamoylbenzyl)-4-hydroxy-pyrrolidin-3-yl]methoxy]phosphinic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methyl-[[(3r,4r)-1-[(3-carbamoylphenyl)methyl]-4-hydroxy-pyrrolidin-3-yl]methoxy]phosphinic acid
InChIKey IMHBNZNABRBOGP-YZOALNMRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N