3-O-Acetyl-2,5-Anhydro-1-Deoxy-4-O-(2,4-Dimethoxy-6-Methylbenzoyl)-1-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-D-Allitol
Properties
Property | Value |
---|---|
Formula | C22H26N2O10 |
IUPAC Name | [(2r,3r,4s,5s)-4-acetoxy-5-[(2,4-dioxopyrimidin-1-yl)methyl]-2-(hydroxymethyl)tetrahydrofuran-3-yl] 2,4-dimethoxy-6-methyl-benzoate |
Molecular Mass | 478.449 g·mol−1 |
Heat of Formation | -1688.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.07 ± 1.08 D |
Volume | 531.98 Å 3 |
Surface Area | 420.38 Å 2 |
HOMO Energy | -9.40 ± 0.55 eV |
LUMO Energy | -0.43 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZTGGVKXNOBHWBN-ACZWYYKOSA-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 |