N-Butyryl-3'-Deoxyadenosine

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Properties Simple | Detailed

Formula C14H19N5O4
IUPAC Name n-[9-[(2r,3r,5s)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]butanamide
Molecular Mass 321.332 g·mol−1
Heat of Formation -517.3 ± 16.7 kJ·mol−1
Dipole Moment 2.05 ± 1.08 D
Volume 364.28 Å 3
Surface Area 330.88 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-deoxy-n(6)-butyryladenosine
  • adenosine, 3'-deoxy-n-(1-oxobutyl)-
  • n(6)-butyryl-3'-deoxyadenosine
  • n(6)-butyrylcordycepin
  • n-[9-[(2r,3r,5s)-3-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-purinyl]butanamide
  • n-[9-[(2r,3r,5s)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]butanamide
  • n-[9-[(2r,3r,5s)-3-hydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]butyramide
  • n6-bc
CAS Number(s)
  • 85368-95-2
InChIKey KPXBIHMSYHYCTE-ATEUNZGCSA-N
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