2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-[(2,4,4,4,4-Pentahydroxy-1,3-Dioxa-2-Phosphonia-4Λ6-Vanadacyclobut-2-Yl)Oxymethyl]Tetrahydrofuran-2-Yl]-1H-Purine-3,7-Diium-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C10H17N5O12PV
IUPAC Name 2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(2,4,4,4,4-pentahydroxy-1,3-dioxa-2-phosphonia-4λ6-vanadacyclobut-2-yl)oxymethyl]tetrahydrofuran-2-yl]-1h-purine-3,7-diium-6-one
Molecular Mass 481.183 g·mol−1
Heat of Formation -2868.0 ± 16.7 kJ·mol−1
Dipole Moment 6.77 ± 1.08 D
Volume 442.38 Å 3
Surface Area 380.78 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
InChIKey TXLYPUHQARIIRM-LTPGDGGNSA-K
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P V