8-Azido-5'-O-(Hydroxyphosphinato)-2',3'-O-(2,4,5-Trinitro-2,4-Cyclohexadiene-1,1-Diyl)Adenosine
Properties
Property | Value |
---|---|
Formula | C16H14N11O13P |
IUPAC Name | [(2r,3ar,4r,6r,6ar)-4-(6-amino-8-azido-purine-1,3,7-triium-9-yl)-1',2',4'-trinitro-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,5'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate |
Molecular Mass | 599.322 g·mol−1 |
Heat of Formation | 644.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 18.77 ± 1.08 D |
Volume | 554.78 Å 3 |
Surface Area | 456.28 Å 2 |
HOMO Energy | -9.13 ± 0.55 eV |
LUMO Energy | -5.07 ± eV |
Point Group Symmetry | C1 |
InChIKey | WYMVSLKONRLTSR-QKAGGWNMSA-M |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C O N |