3-O-Acetyl-1,5-Anhydro-2-Butyl-2,4-Dideoxy-4-Methylpentitol
Properties
Property | Value |
---|---|
Formula | C12H22O3 |
IUPAC Name | [(3r,4r,5r)-3-butyl-5-methyl-tetrahydropyran-4-yl] acetate |
Molecular Mass | 214.301 g·mol−1 |
Heat of Formation | -721.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.98 ± 1.08 D |
Volume | 289.99 Å 3 |
Surface Area | 260.26 Å 2 |
HOMO Energy | -9.73 ± 0.55 eV |
LUMO Energy | 1.11 ± eV |
Point Group Symmetry | C1 |
InChIKey | XWNKVSFNBVIKJB-YUSALJHKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |