5'-S-1-Propyn-1-Yl-5'-Thioadenosine

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Properties Simple | Detailed

Formula C13H15N5O3S
IUPAC Name (2r,3r,4s,5s)-2-(6-aminopurin-9-ium-9-yl)-5-(prop-1-ynylsulfanylmethyl)tetrahydrofuran-3,4-diol
Molecular Mass 321.355 g·mol−1
Heat of Formation -84.3 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 343.1 Å 3
Surface Area 295.94 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s)-2-(6-amino-9-purinyl)-5-[(prop-1-ynylthio)methyl]tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-(prop-1-ynylsulfanylmethyl)oxolane-3,4-diol
  • (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-(prop-1-ynylsulfanylmethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-[(prop-1-ynylthio)methyl]tetrahydrofuran-3,4-diol
  • 5'-s-propynyl-5'-thioadenosine
InChIKey BVZRFAXRAGNGMS-QYVSTXNMSA-N
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