[(3S,3Ar,6S,6As)-3-[3-(1,3-Dimethyl-2,6-Dioxo-Purin-9-Ium-5-Id-7-Yl)Propylamino]-2,3,3A,5,6,6A-Hexahydrofuro[3,2-B]Furan-6-Yl] Nitrate

Molecule SVG Image

Properties Simple | Detailed

Formula C16H23N6O7
IUPAC Name [(3s,3ar,6s,6as)-3-[3-(1,3-dimethyl-2,6-dioxo-purin-9-ium-5-id-7-yl)propylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Molecular Mass 411.390 g·mol−1
Heat of Formation -611.2 ± 16.7 kJ·mol−1
Dipole Moment 7.33 ± 1.08 D
Volume 457.73 Å 3
Surface Area 399.29 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
InChIKey IVQPOANSZRHGMU-VZIHZJEBSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N