{6-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-4-[(Chloroacetyl)Amino]-3,5-Dihydroxy-2-Morpholinyl}Methyl Trihydrogen Diphosphate

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Properties Simple | Detailed

Formula C12H10ClN7O12P2
IUPAC Name [2-[1-(2-amino-6-oxo-8h-purine-1,3-diium-9-yl)-2-oxo-vinyloxy]-3-(2-chloroacetyl)iminioammonio-3-oxo-propyl] (3-oxo-1,2,3λ5-dioxaphosphiran-3-yl) phosphate
Molecular Mass 541.648 g·mol−1
Heat of Formation -270.8 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 483.31 Å 3
Surface Area 398.31 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -4.33 ± eV
Point Group Symmetry C1
InChIKey YYPVTQLDNCGKJR-FIEZQIHNSA-N
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Elements P C N O Cl