3'-O-[2-(Methylamino)Benzoyl]Guanosine 5'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C18H22N6O12P2
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-(methylamino)benzoate
Molecular Mass 576.348 g·mol−1
Heat of Formation -2385.8 ± 16.7 kJ·mol−1
Dipole Moment 11.31 ± 1.08 D
Volume 585.58 Å 3
Surface Area 478.85 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylaminobenzoic acid [(2r,3s,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] ester
  • 2-methylaminobenzoic acid [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]-3-tetrahydrofuranyl] ester
  • 3'-o-(n- methylanthraniloyl)guanosine 5'-diphosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]oxolan-3-yl] 2-methylaminobenzoate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] 2-methylaminobenzoate
  • guanosine 5'-(trihydrogen diphosphate), 3'-[2-(methylamino)benzoate] (9ci)
  • guanosine, 3'-[2-(methylamino)benzoate] 5'-(trihydrogen diphosphate)
CAS Number(s)
  • 91828-87-4
InChIKey DAJQUPOUYBWRQQ-XNIJJKJLSA-N
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