2-(3-Cyclopentyl-1-Propyn-1-Yl)Adenosine

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Properties Simple | Detailed

Formula C18H23N5O4
IUPAC Name (2r,3r,4s,5r)-2-[6-amino-2-(3-cyclopentylprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 373.406 g·mol−1
Heat of Formation -305.5 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 434.25 Å 3
Surface Area 370.22 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-amino-2-(3-cyclopentylprop-1-ynyl)-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-(3-cyclopentylprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-(3-cyclopentylprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-(3-cyclopentylprop-1-ynyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • 2-(3-cyclopentyl-1-propynyl)adenosine
  • cpp-adenosine
CAS Number(s)
  • 141345-10-0
InChIKey ACTXLGWFGGOOKX-XKLVTHTNSA-N
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