[(2R,3S,4R,5R)-5-(4-Amino-3-Ethynyl-Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C12H16N5O7P |
IUPAC Name | [(2r,3s,4r,5r)-5-(4-amino-3-ethynyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 373.259 g·mol−1 |
Heat of Formation | -1010.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.26 ± 1.08 D |
Volume | 355.42 Å 3 |
Surface Area | 304.6 Å 2 |
HOMO Energy | -9.28 ± 0.55 eV |
LUMO Energy | -0.96 ± eV |
Point Group Symmetry | C1 |
InChIKey | DXZYHBPODUZONO-WOUKDFQISA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |