N-Butyryladenosine

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Properties Simple | Detailed

Formula C14H19N5O5
IUPAC Name n-[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-9-ium-6-yl]butanamide
Molecular Mass 337.331 g·mol−1
Heat of Formation -681.3 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 374.52 Å 3
Surface Area 338.98 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • adenosine, n-(1-oxobutyl)-
  • n(6)-monobutyryladenosine
  • n-[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-purinyl]butanamide
  • n-[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]butanamide
  • n-[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]butanamide
  • n-[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]butyramide
CAS Number(s)
  • 4662-11-7
InChIKey NFFYGAVXFCQEOT-FRJWGUMJSA-N
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