Formula |
C16H26N4O4 |
IUPAC Name |
7-(ethoxymethyl)-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-8h-purine-4,5,8,9-tetraide-2,6-dione |
Molecular Mass |
338.402 g·mol−1 |
Heat of Formation |
-725.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.15 ± 1.08 D |
Volume |
419.35 Å 3 |
Surface Area |
363.37 Å 2 |
HOMO Energy |
-9.03 ± 0.55 eV |
LUMO Energy |
-0.55 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 7-(ethoxymethyl)-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-purine-2,6-dione
- 7-(ethoxymethyl)-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-xanthine
- 7-(ethoxymethyl)-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione
- torbafilina [spanish]
- torbafylline
- torbafyllinum [latin]
|
CAS Number(s) |
|
InChIKey |
QSXXLDDWVCEBFP-UHFFFAOYSA-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
|
|
|