N-Allyl-N-Phenyladenosine

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Properties Simple | Detailed

Formula C19H21N5O4
IUPAC Name (2r,3r,4s,5r)-2-[6-(n-allylanilino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 383.401 g·mol−1
Heat of Formation -265.7 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 440.53 Å 3
Surface Area 373.84 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-(allyl-phenyl-amino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-(allyl-phenyl-amino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-(allyl-phenylamino)-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(phenyl-prop-2-enyl-amino)purin-9-yl]oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(phenyl-prop-2-enylamino)purin-9-yl]oxolane-3,4-diol
  • adenosine, n-phenyl-n-2-propenyl-
  • bm 11,189
  • bm 11189
  • n(6)-phenyl-n(6)-allyladenosine
CAS Number(s)
  • 71735-91-6
InChIKey JKOCKLFBFNXCOT-NVQRDWNXSA-N
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