1-[(4Xi)-β-D-Erythro-Pentofuranosyl]-1,3,4,7-Tetrahydro-2H-1,3-Diazepin-2-One
Properties
Property | Value |
---|---|
Formula | C10H16N2O5 |
IUPAC Name | 3-[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,7-dihydro-1h-1,3-diazepin-2-one |
Molecular Mass | 244.244 g·mol−1 |
Heat of Formation | -831.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.53 ± 1.08 D |
Volume | 277.59 Å 3 |
Surface Area | 248.05 Å 2 |
HOMO Energy | -9.45 ± 0.55 eV |
LUMO Energy | 0.30 ± eV |
Point Group Symmetry | C1 |
InChIKey | HBBIVXDEBCKFIZ-RBXMUDONSA-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 |