2-Amino-9-{[(1,3-Dihydroxy-2-Propanyl)Sulfanyl]Methyl}-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C9H14N5O3S
IUPAC Name 2-amino-9-[[2-hydroxy-1-(hydroxymethyl)ethyl]sulfanylmethyl]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 272.304 g·mol−1
Heat of Formation -237.9 ± 16.7 kJ·mol−1
Dipole Moment 10.04 ± 1.08 D
Volume 300.21 Å 3
Surface Area 266.5 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
InChIKey MXCLLTYHKOFHAL-UHFFFAOYSA-P
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