2-Amino-9-[2,3-Dideoxy-3-(Hydroxymethyl)-β-D-Erythro-Pentofuranosyl]-3,9-Dihydro-6H-Purine-6-Thione

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Properties Simple | Detailed

Formula C11H22N5O3S+
IUPAC Name 2-amino-9-[(2r,4r,5s)-4,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-3,8-dihydropurine-1,2,4,5,7,8-hexaide-6-thione
Molecular Mass 304.389 g·mol−1
Heat of Formation -189.4 ± 16.7 kJ·mol−1
Dipole Moment 14.92 ± 1.08 D
Volume 327.09 Å 3
Surface Area 292.48 Å 2
HOMO Energy -7.80 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[(2r,4r,5s)-4,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]-3h-purine-6-thione
  • 2-amino-9-[(2r,4r,5s)-4,5-bis(hydroxymethyl)oxolan-2-yl]-3h-purine-6-thione
  • 2-amino-9-[(2r,4r,5s)-4,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-6-thione
  • 2-amino-9-[(2r,4r,5s)-4,5-dimethyloltetrahydrofuran-2-yl]-3h-purine-6-thione
  • 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-d-erythro-pentafuranose
  • 6h-purine-6-thione, 2-amino-9-(2,3-dideoxy-3-(hydroxymethyl)-alpha-d-erythro-pentofuranosyl)-1,9-dihydro-
CAS Number(s)
  • 69828-00-8
InChIKey JFXDHZJSWZPYOX-FSDSQADBSA-N
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