4-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Ide-5-Carbothioamide
Properties
Property | Value |
---|---|
Formula | C12H15N5O4S |
IUPAC Name | 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carbothioamide |
Molecular Mass | 325.344 g·mol−1 |
Heat of Formation | -442.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.27 ± 1.08 D |
Volume | 351.65 Å 3 |
Surface Area | 305.81 Å 2 |
HOMO Energy | -8.62 ± 0.55 eV |
LUMO Energy | -1.06 ± eV |
Point Group Symmetry | C1 |
InChIKey | WQEXXJAMKCXPCB-JTFADIMSSA-O |
QR Code | Generate QR Code |
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Elements | H S C O N |