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Formula C22H25N6O8P
IUPAC Name [(2s,3ar,4r,6r,6ar)-4-[6-(ethylcarbamoylamino)purine-1,3,7-triium-9-yl]-2-[(e)-styryl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate
Molecular Mass 532.443 g·mol−1
Heat of Formation -1254.7 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 573.16 Å 3
Surface Area 505.27 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3ar,4r,6r,6ar)-6-[6-(ethylcarbamoylamino)-9-purinyl]-2-[(e)-2-phenylvinyl]-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-4-yl]methyl dihydrogen phosphate
  • [(2s,3ar,4r,6r,6ar)-6-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(e)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-4-yl]methyl dihydrogen phosphate
  • [(2s,3ar,4r,6r,6ar)-6-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(e)-2-phenylvinyl]-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-4-yl]methyl dihydrogen phosphate
InChIKey NXHAXEBZOXCDKD-XIXRRVGJSA-N
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