Ethyl 4-(3,7-Dimethyl-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-1-Yl)-3-Oxobutanoate
Properties
Property | Value |
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Formula | C13H16N4O5 |
IUPAC Name | ethyl 4-(3,7-dimethyl-2,6-dioxo-8h-purine-4,5,8,9-tetraid-1-yl)-3-oxo-butanoate |
Molecular Mass | 308.290 g·mol−1 |
Heat of Formation | -729.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.42 ± 1.08 D |
Volume | 347.14 Å 3 |
Surface Area | 317.85 Å 2 |
HOMO Energy | -9.04 ± 0.55 eV |
LUMO Energy | 2.46 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | ODVAGOBDSRFERK-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 |