1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-4-Oxo-Pyrazolo[3,4-D]Pyrimidine-1,2,5,7-Tetraium-3-Carbothioamide
Properties
Property | Value |
---|---|
Formula | C11H15N5O5S |
IUPAC Name | 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-pyrazolo[3,4-d]pyrimidine-1,2,5,7-tetraium-3-carbothioamide |
Molecular Mass | 329.332 g·mol−1 |
Heat of Formation | -461.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.21 ± 1.08 D |
Volume | 336.65 Å 3 |
Surface Area | 286.51 Å 2 |
HOMO Energy | -9.28 ± 0.55 eV |
LUMO Energy | -2.09 ± eV |
Point Group Symmetry | C1 |
InChIKey | ADHKWSZPXNPLAW-DIQMVPLZSA-O |
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Elements | H S C O N |