[(2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,3-D]Pyrimidin-7-Ium-4A-Id-7-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C11H15N4O7P |
IUPAC Name | [(2r,3s,4r,5r)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-ium-4a-id-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 346.233 g·mol−1 |
Heat of Formation | -1370.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.20 ± 1.08 D |
Volume | 354.51 Å 3 |
Surface Area | 298.22 Å 2 |
HOMO Energy | -8.99 ± 0.55 eV |
LUMO Energy | -0.60 ± eV |
Point Group Symmetry | C1 |
InChIKey | XYHLBSPSEJZRNA-KCGFPETGSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |