(2R,3S,5R)-5-(6-Amino-8-Bromo-Purin-9-Ium-9-Yl)-2-[(Trihydroxy-Λ5-Phosphanyl)Oxymethyl]Tetrahydrofuran-3-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C10H15BrN5O6P
IUPAC Name (2r,3s,5r)-5-(6-amino-8-bromo-purin-9-ium-9-yl)-2-[(trihydroxy-λ5-phosphanyl)oxymethyl]tetrahydrofuran-3-ol
Molecular Mass 412.134 g·mol−1
Heat of Formation -1077.5 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 372.14 Å 3
Surface Area 323.37 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey KHOLGFBHVBVSEY-KVQBGUIXSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P Br