Yl Acetate

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Properties Simple | Detailed

Formula C17H25N5O15P2
IUPAC Name [(2s,3s,4r,5s)-2-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4,5-dihydroxy-tetrahydrofuran-3-yl] acetate
Molecular Mass 601.352 g·mol−1
Heat of Formation -3080.1 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 600.51 Å 3
Surface Area 495.2 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5s)-2-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4,5-dihydroxytetrahydrofuran-3-yl acetate
  • 3od
  • [(2s,3s,4r,5s)-2-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4,5-dihydroxy-oxolan-3-yl] ethanoate
  • [(2s,3s,4r,5s)-2-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4,5-dihydroxy-tetrahydrofuran-3-yl] acetate
  • acetic acid [(2s,3s,4r,5s)-2-[[[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4,5-dihydroxy-3-tetrahydrofuranyl] ester
  • acetic acid [(2s,3s,4r,5s)-2-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4,5-dihydroxy-tetrahydrofuran-3-yl] ester
InChIKey HNHCIVXQBMBKPQ-ARMUENPQSA-N
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