(2R,3S,5R)-5-(2-Amino-3,5,9-Triaza-7-Azonia-8-Azanidabicyclo[4.3.0]Nona-1(9),2,4,6-Tetraen-7-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Ol
Properties
Property | Value |
---|---|
Formula | C9H12N6O3 |
IUPAC Name | (2r,3s,5r)-5-(2-amino-3,5,9-triaza-7-azonia-8-azanidabicyclo[4.3.0]nona-1(9),2,4,6-tetraen-7-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol |
Molecular Mass | 252.230 g·mol−1 |
Heat of Formation | -180.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.24 ± 1.08 D |
Volume | 271.0 Å 3 |
Surface Area | 247.91 Å 2 |
HOMO Energy | -9.61 ± 0.55 eV |
LUMO Energy | 1.99 ± eV |
Point Group Symmetry | C1 |
InChIKey | MBWZCDLDYCIDSU-KVQBGUIXSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |