(2S,4As,6R,7R,7Ar)-2-Hydroxy-6-[6-[[(1S)-1-Methyl-2-Phenyl-Ethyl]Amino]Purine-1,3,7-Triium-9-Yl]-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Ol
Properties
Property | Value |
---|---|
Formula | C19H24N5O6P |
IUPAC Name | (2s,4as,6r,7r,7ar)-2-hydroxy-6-[6-[[(1s)-1-methyl-2-phenyl-ethyl]amino]purine-1,3,7-triium-9-yl]-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol |
Molecular Mass | 449.397 g·mol−1 |
Heat of Formation | -990.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.85 ± 1.08 D |
Volume | 489.34 Å 3 |
Surface Area | 367.19 Å 2 |
HOMO Energy | -8.85 ± 0.55 eV |
LUMO Energy | -0.83 ± eV |
Point Group Symmetry | C1 |
InChIKey | QQKKXVULNZUEAU-IQAYWSRLSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |