3'-O-1-Naphthoyladenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C21H22N5O14P3
IUPAC Name [[[5-(5-cyano-4-hydrazino-2,4-dihydroimidazol-3-yl)-3,4-dioxo-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxo-phosphaniumyl]oxy methyl phosphate; formaldehyde
Molecular Mass 661.346 g·mol−1
Heat of Formation -3031.0 ± 16.7 kJ·mol−1
Dipole Moment 1.47 ± 1.08 D
Volume 650.61 Å 3
Surface Area 476.48 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1-naphthalenecarboxylic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]-3-tetrahydrofuranyl] ester
  • 3'-o-naphthoyladenosine 5'-triphosphate
  • 3-np-atp
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] naphthalene-1-carboxylate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate
  • adenosine 5'-(tetrahydrogen triphosphate), 3'-(1-naphthalenecarboxylate)
  • naphthalene-1-carboxylic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester
  • naphthoyl-atp
CAS Number(s)
  • 76152-01-7
InChIKey SDHBQQJZCDASLQ-WVSUBDOOSA-N
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