[(2S,3R,4R,5R)-5-(2-Amino-6-Thioxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C10H16N5O7PS+ |
IUPAC Name | [(2s,3r,4r,5r)-5-(2-amino-6-thioxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 381.302 g·mol−1 |
Heat of Formation | -1227.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 13.15 ± 1.08 D |
Volume | 380.49 Å 3 |
Surface Area | 332.9 Å 2 |
HOMO Energy | -7.81 ± 0.55 eV |
LUMO Energy | -0.76 ± eV |
Point Group Symmetry | C1 |
InChIKey | BNCXWNLMBCVCOP-BZKDHIKHSA-P |
QR Code | Generate QR Code |
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Elements | C H O N P S |