2-(2,7-Dimethyl-5H-Pyrimido[4,5-D][1,3]Thiazolo[3,2-A]Pyrimidin-8-Yl)Ethyl Trihydrogen Diphosphate
Properties
Property | Value |
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Formula | C12H16N4O7P2S |
IUPAC Name | 2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethyl phosphono hydrogen phosphate |
Molecular Mass | 422.291 g·mol−1 |
Heat of Formation | -1627.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.32 ± 1.08 D |
Volume | 435.44 Å 3 |
Surface Area | 361.79 Å 2 |
HOMO Energy | -8.15 ± 0.55 eV |
LUMO Energy | -1.41 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | DEEKUGGTHPYDAX-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H O N P S |