[(2R,3R,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Chloro-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C10H13ClN5O6P |
IUPAC Name | [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-chloro-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 365.667 g·mol−1 |
Heat of Formation | -1157.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.32 ± 1.08 D |
Volume | 358.63 Å 3 |
Surface Area | 312.64 Å 2 |
HOMO Energy | -9.14 ± 0.55 eV |
LUMO Energy | -0.58 ± eV |
Point Group Symmetry | C1 |
InChIKey | MWHZPWSWPKTZFP-QYYRPYCUSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl H O N P |