(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-purin-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 223.1 ± 16.7 kJ·mol−1
Dipole Moment 12.40 ± 1.08 D
Volume 358.57 Å 3
Surface Area 321.59 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -2.21 ± eV
Point Group Symmetry C1
InChIKey HDYHKWPWVLEDBZ-IHVVVHBASA-N
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