[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-N-[[4-[2-Chloroethyl(Methyl)Amino]Phenyl]Methyl]Phosphonamidic Acid
Properties
Property | Value |
---|---|
Formula | C20H27ClN7O6P |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-n-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]phosphonamidic acid |
Molecular Mass | 527.898 g·mol−1 |
Heat of Formation | -1083.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.65 ± 1.08 D |
Volume | 573.7 Å 3 |
Surface Area | 424.69 Å 2 |
HOMO Energy | -8.49 ± 0.55 eV |
LUMO Energy | -0.94 ± eV |
Point Group Symmetry | C1 |
InChIKey | NFHFKWYDUQKIGG-WVSUBDOOSA-O |
QR Code | Generate QR Code |
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Elements | C Cl H O N P |