2-(Ethylsulfanyl)Adenosine 5'-(Dihydrogen Phosphate)

Molecule SVG Image

Properties Simple | Detailed

Formula C12H18N5O7PS
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-2-ethylsulfanyl-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 407.339 g·mol−1
Heat of Formation -1356.3 ± 16.7 kJ·mol−1
Dipole Moment 6.64 ± 1.08 D
Volume 419.2 Å 3
Surface Area 363.66 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, 2-(ethylthio)-, homopolymer
  • [(2r,3s,4r,5r)-5-(6-amino-2-ethylsulfanyl-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-ethylsulfanyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-ethylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[6-amino-2-(ethylthio)-9-purinyl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[6-amino-2-(ethylthio)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • poly(2'-ethylthioadenylic acid)
CAS Number(s)
  • 70804-86-3
InChIKey KSEHCVZYQVNMHL-IOSLPCCCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S