N-[(2R)-4-Methyl-3-Penten-2-Yl]Adenosine

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Properties Simple | Detailed

Formula C16H23N5O4
IUPAC Name (2r,3r,4s,5r)-2-[6-[[(1r)-1,3-dimethylbut-2-enyl]amino]purin-9-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 349.385 g·mol−1
Heat of Formation -517.0 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 405.06 Å 3
Surface Area 356.67 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-[[(1r)-1,3-dimethylbut-2-enyl]amino]-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-[[(1r)-1,3-dimethylbut-2-enyl]amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-[[(1r)-1,3-dimethylbut-2-enyl]amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[[(2r)-4-methylpent-3-en-2-yl]amino]purin-9-yl]oxolane-3,4-diol
InChIKey BNELRKBQHVNRME-ZGOQAQPGSA-N
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