(4Ar,6R,7R,7As)-6-(4-Amino-7H-Pyrrolo[2,3-D]Pyrimidin-7-Yl)Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinine-2,7-Diol 2-Oxide

Molecule SVG Image

Properties Simple | Detailed

Formula C11H13N4O6P
IUPAC Name (2s,4ar,6r,7r,7as)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular Mass 328.218 g·mol−1
Heat of Formation -1030.1 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 330.47 Å 3
Surface Area 292.89 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,6r,8r,9r)-8-(4-amino-7-pyrrolo[3,2-e]pyrimidinyl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-8-(4-aminopyrrolo[3,2-e]pyrimidin-7-yl)-3-hydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-8-(4-aminopyrrolo[3,2-e]pyrimidin-7-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • 7-(3,5-o-phosphinico-beta-d-ribofuranosyl)-7h-pyrrolo(2,3-d)pyrimidin-4-amine
  • tubercidin 3',5'-cyclic phosphate
InChIKey LCYHXWIEMRESTK-KCGFPETGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N