(2R,3R,4S,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-2-Azido-4-Fluoro-2-(Hydroxymethyl)Tetrahydro-3-Furanyl Methyl 7,7'-Dimethoxy-4,4'-Bi-1,3-Benzodioxole-5,5'-Dicarboxylate (Non-Preferred Name)
Properties
Property | Value |
---|---|
Formula | C28H25FN6O13 |
IUPAC Name | methyl 4-[5-[(2r,3r,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-azido-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxycarbonyl-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate |
Molecular Mass | 672.529 g·mol−1 |
Heat of Formation | -1635.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.68 ± 1.08 D |
Volume | 692.53 Å 3 |
Surface Area | 506.19 Å 2 |
HOMO Energy | -8.82 ± 0.55 eV |
LUMO Energy | -0.75 ± eV |
Point Group Symmetry | C1 |
InChIKey | QSITVDTVKMJTAB-ZGQHXOITSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |