Methyl (2S,3R)-4-[3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-4,6-Dimethyl-9-Oxo-Imidazo[1,2-A]Purine-1,5-Diium-3A,7-Diid-7-Yl]-3-Hydroperoxy-2-(Methoxycarbonylamino)Butanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H30N6O11
IUPAC Name methyl (2s,3r)-4-[3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6-dimethyl-9-oxo-imidazo[1,2-a]purine-1,5-diium-3a,7-diid-7-yl]-3-hydroperoxy-2-(methoxycarbonylamino)butanoate
Molecular Mass 542.496 g·mol−1
Heat of Formation -1405.3 ± 16.7 kJ·mol−1
Dipole Moment 7.13 ± 1.08 D
Volume 585.8 Å 3
Surface Area 482.03 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
InChIKey ISGAKYCFTKGHCU-NTLIOOHXSA-Q
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N