N6-Methyl-2-Phenylethynyladenosine

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Properties Simple | Detailed

Formula C19H19N5O4
IUPAC Name [4-[(e)-[3,4-dioxo-5-(oxomethylene)tetrahydrofuran-2-ylidene]amino]-6-methylidyneammonio-2-(2-phenylethynyl)-5h-pyrimidine-1,3-diium-5-yl]-methylidyne-ammonium
Molecular Mass 381.385 g·mol−1
Heat of Formation -112.3 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 430.03 Å 3
Surface Area 380.6 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 1.91 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-methylamino-2-(2-phenylethynyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-methylamino-2-(2-phenylethynyl)-9-purinyl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-methylamino-2-(2-phenylethynyl)purin-9-yl]tetrahydrofuran-3,4-diol
InChIKey QPMWMOJXQPUBBF-BGIGGGFGSA-N
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