(3As,4R,9S,10As)-2-Ammonio-4-[(Carbamoyloxy)Methyl]-5,10,10-Trihydroxy-6-Iminio-3A,4,5,6,9,10-Hexahydro-1H,8H-Pyrrolo[1,2-C]Purin-9-Yl Sulfate

Molecule SVG Image

Properties Simple | Detailed

Formula C10H17N7O9S+
IUPAC Name [(3as,4r,9r,10as)-2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-3h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Molecular Mass 411.348 g·mol−1
Heat of Formation -1292.7 ± 16.7 kJ·mol−1
Dipole Moment 10.43 ± 1.08 D
Volume 404.36 Å 3
Surface Area 336.61 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
InChIKey CETRDCWBMBILAL-ADBWNOPLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N