(2S,4Ar,6R,7R,7As)-6-[6-(Benzylamino)Purine-1,3,7-Triium-9-Yl]-2-Hydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Ol
Properties
Property | Value |
---|---|
Formula | C17H18N5O6P |
IUPAC Name | (2s,4ar,6r,7r,7as)-6-[6-(benzylamino)purine-1,3,7-triium-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol |
Molecular Mass | 419.329 g·mol−1 |
Heat of Formation | -880.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.49 ± 1.08 D |
Volume | 440.75 Å 3 |
Surface Area | 391.43 Å 2 |
HOMO Energy | -8.88 ± 0.55 eV |
LUMO Energy | -0.80 ± eV |
Point Group Symmetry | C1 |
InChIKey | DMOSDVZRJXDZGA-LSCFUAHRSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |