5-Amino-3-(2,3,5-Tri-O-Acetyl-β-D-Ribofuranosyl)[1,3]Thiazolo[4,5-D]Pyrimidine-2,7(3H,4H)-Dione

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Properties Simple | Detailed

Formula C16H18N4O9S
IUPAC Name [(2r,3r,4r,5r)-3,4-diacetoxy-5-(5-amino-2,7-dioxo-4h-thiazolo[4,5-d]pyrimidin-3-yl)tetrahydrofuran-2-yl]methyl acetate
Molecular Mass 442.401 g·mol−1
Heat of Formation -1435.4 ± 16.7 kJ·mol−1
Dipole Moment 12.40 ± 1.08 D
Volume 470.74 Å 3
Surface Area 393.43 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
Synonyms
  • 5-amino-3-(2,3,5-tri-o-acetyl-beta-ribofuranosyl)thiazolo(4,5-d)pyrimidine-2,7-dione
  • [(2r,3r,4r,5r)-4-acetoxy-5-(acetoxymethyl)-2-(5-amino-2,7-dioxo-4h-thiazolo[5,4-e]pyrimidin-3-yl)tetrahydrofuran-3-yl] acetate
  • [(2r,3r,4r,5r)-4-acetyloxy-5-(acetyloxymethyl)-2-(5-amino-2,7-dioxo-4h-[1,3]thiazolo[5,4-e]pyrimidin-3-yl)oxolan-3-yl] acetate
  • [(2r,3r,4r,5r)-4-acetyloxy-5-(acetyloxymethyl)-2-(5-amino-2,7-dioxo-4h-[1,3]thiazolo[5,4-e]pyrimidin-3-yl)oxolan-3-yl] ethanoate
  • acetic acid [(2r,3r,4r,5r)-4-acetoxy-5-(acetoxymethyl)-2-(5-amino-2,7-diketo-4h-thiazolo[5,4-e]pyrimidin-3-yl)tetrahydrofuran-3-yl] ester
  • acetic acid [(2r,3r,4r,5r)-4-acetoxy-5-(acetoxymethyl)-2-(5-amino-2,7-dioxo-4h-thiazolo[5,4-e]pyrimidin-3-yl)-3-tetrahydrofuranyl] ester
  • acetic acid, 4-acetoxy-2-acetoxymethyl-5-(5-amino-2,7-dioxo-6,7-dihydro-thiazolo[4,5-d]pyrimidin-3-yl)-tetrahydro-furan-3-yl ester
  • attpd
  • thiazolo(4,5-d)pyrimidine-2,7(3h,4h)-dione, 5-amino-3-(2,3,5-tri-o-acetyl-beta-d-ribofuranosyl)
CAS Number(s)
  • 124737-24-2
InChIKey JCBNBPGERWWBNS-NZHONMPCSA-N
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