9-[5-O-(Hydroxy{[5-(2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl)Pentanoyl]Oxy}Phosphoryl)Pentofuranosyl]-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C20H28N7O9PS
IUPAC Name 1-[2-[2-[(4r)-4-[[(5e)-4-cyano-5-cyanoimino-2h-imidazol-1-yl]methoxy]-1,2,3,5,4-tetraoxaphosphinan-6-yl]-3-methylene-cyclopropen-1-yl]ethynyl]-3-(2-sulfanylethynyl)urea; formaldehyde; prop-1-yne-1,3-diol
Molecular Mass 573.517 g·mol−1
Heat of Formation 629.2 ± 16.7 kJ·mol−1
Dipole Moment 25.35 ± 1.08 D
Volume 540.63 Å 3
Surface Area 482.22 Å 2
HOMO Energy -7.31 ± 0.55 eV
LUMO Energy -4.66 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl)valeric acid [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester
  • 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl)pentanoic acid [[5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] ester
  • [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl)pentanoate
  • [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl)pentanoate
  • bio-5'-amp
  • bio-5-amp
  • biotinyl-5'-adenylate
InChIKey UTQCSTJVMLODHM-UHFFFAOYSA-N
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