(5R,6R)-6-[6-Amino-8-(Methylsulfanyl)-9H-Purin-9-Yl]Tetrahydro-4H-Furo[2,3-D][1,3,2]Dioxaphosphinine-2,5-Diol 2-Oxide

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Properties Simple | Detailed

Formula C11H14N5O6PS
IUPAC Name (2r,4as,5r,6r,7ar)-6-(6-amino-8-methylsulfanyl-purine-1,3,7-triium-9-yl)-2-hydroxy-2-oxo-4a,5,6,7a-tetrahydro-4h-furo[2,3-d][1,3,2]dioxaphosphinin-5-ol
Molecular Mass 375.298 g·mol−1
Heat of Formation -1022.4 ± 16.7 kJ·mol−1
Dipole Moment 8.38 ± 1.08 D
Volume 368.52 Å 3
Surface Area 316.87 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
InChIKey HDYHKWPWVLEDBZ-ZUUNNNKKSA-N
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