3-Ethyl-1-(6-Hydroxy-6-Methylheptyl)-7-Propyl-3,7-Dihydro-1H-Purine-2,6-Dione
Properties
Property | Value |
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Formula | C18H30N4O3 |
IUPAC Name | 3-ethyl-1-(6-hydroxy-6-methyl-heptyl)-7-propyl-purine-2,6-dione |
Molecular Mass | 350.456 g·mol−1 |
Heat of Formation | -625.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.73 ± 1.08 D |
Volume | 453.39 Å 3 |
Surface Area | 400.17 Å 2 |
HOMO Energy | -8.88 ± 0.55 eV |
LUMO Energy | 2.65 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | ATHCWQQQOOHNJU-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 |