4-Amino-1-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-1,3,5-Triazin-2(1H)-One
Properties
Property | Value |
---|---|
Formula | C8H12N4O4 |
IUPAC Name | 4-amino-1-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one |
Molecular Mass | 228.205 g·mol−1 |
Heat of Formation | -587.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.62 ± 1.08 D |
Volume | 246.48 Å 3 |
Surface Area | 229.93 Å 2 |
HOMO Energy | -10.02 ± 0.55 eV |
LUMO Energy | -0.47 ± eV |
Point Group Symmetry | C1 |
InChIKey | XAUDJQYHKZQPEU-HSUXUTPPSA-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 |