(1S,2R,5R)-5-(8-Hydroxy-7,8-Dihydroimidazo[4,5-D][1,3]Diazepin-3(4H)-Yl)-3-(Hydroxymethyl)-3-Cyclopentene-1,2-Diol
Properties
Property | Value |
---|---|
Formula | C12H16N4O4 |
IUPAC Name | 5-(8-hydroxy-7,8-dihydro-4h-imidazo[4,5-d][1,3]diazepin-3-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol |
Molecular Mass | 280.280 g·mol−1 |
Heat of Formation | -456.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.56 ± 1.08 D |
Volume | 308.07 Å 3 |
Surface Area | 274.86 Å 2 |
HOMO Energy | -8.47 ± 0.55 eV |
LUMO Energy | -0.37 ± eV |
Point Group Symmetry | C1 |
InChIKey | WJSAFKJWCOMTLH-SCVMZPAESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |