3-{3-O-(4-Benzoylbenzoyl)-2-Deoxy-5-O-[Hydroxy(Phosphonooxy)Phosphoryl]-β-D-Erythro-Pentofuranosyl}-3H-Imidazo[2,1-I]Purine

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Properties Simple | Detailed

Formula C26H23N5O11P2
IUPAC Name [(2r,3s,5r)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-3-yl] 4-benzoylbenzoate
Molecular Mass 643.435 g·mol−1
Heat of Formation 900.1 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 639.84 Å 3
Surface Area 507.19 Å 2
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-3'-o-(4-benzoylbenzoyl)-1,n(6)-ethenoadenonosine 5'-diphosphate
  • 3'(bz2)2'd-epsilon adp
  • 4-(benzoyl)benzoic acid [(2r,3s,5r)-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-3-yl] ester
  • 4-(oxo-phenylmethyl)benzoic acid [(2r,3s,5r)-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]-5-(3-imidazo[2,1-f]purinyl)-3-tetrahydrofuranyl] ester
  • [(2r,3s,5r)-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]-5-imidazo[2,1-f]purin-3-yl-oxolan-3-yl] 4-phenylcarbonylbenzoate
  • [(2r,3s,5r)-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-3-yl] 4-(benzoyl)benzoate
  • [(2r,3s,5r)-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]-5-imidazo[2,1-f]purin-3-yloxolan-3-yl] 4-(benzoyl)benzoate
CAS Number(s)
  • 110682-79-6
InChIKey AWGGGKHLXXQILD-PWRODBHTSA-N
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