[(2S,3S,4S,5S)-5-(6-Amino-8-Azido-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl 4-Fluorosulfonylbenzoate
Properties
Property | Value |
---|---|
Formula | C17H17FN8O7S |
IUPAC Name | [(2s,3s,4s,5s)-5-(6-amino-8-azido-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 4-fluorosulfonylbenzoate |
Molecular Mass | 496.430 g·mol−1 |
Heat of Formation | -690.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.71 ± 1.08 D |
Volume | 500.16 Å 3 |
Surface Area | 425.39 Å 2 |
HOMO Energy | -9.09 ± 0.55 eV |
LUMO Energy | -1.33 ± eV |
Point Group Symmetry | C1 |
InChIKey | OUZBOWGRZDKZSS-LIBKGXAOSA-O |
QR Code | Generate QR Code |
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Elements | C F H O N S |