7-[(2R,4Ar,6R,7R,7Ar)-2,7-Dihydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-4-Amino-Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Ide-5-Carbonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C12H12N5O6P
IUPAC Name 7-[(2r,4ar,6r,7r,7ar)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-amino-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carbonitrile
Molecular Mass 353.227 g·mol−1
Heat of Formation -984.9 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 356.31 Å 3
Surface Area 303.92 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
InChIKey RPHLUAGHWODJAK-QRKAXHLRSA-O
QR Code Generate QR Code
Links
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N