[(2R,3R,4S,5S)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Bromo-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C10H13BrN5O6P |
IUPAC Name | [(2r,3r,4s,5s)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-bromo-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 410.118 g·mol−1 |
Heat of Formation | -1128.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.00 ± 1.08 D |
Volume | 370.78 Å 3 |
Surface Area | 325.58 Å 2 |
HOMO Energy | -9.23 ± 0.55 eV |
LUMO Energy | 2.28 ± eV |
Point Group Symmetry | C1 |
InChIKey | DNUVXADFKKEEQN-ASTPYSOASA-O |
QR Code | Generate QR Code |
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Elements | C H O N P Br |