[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(4-Carbamoyl-1,3-Thiazol-2-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]Methyl Dihydrogen Diphosphate (Non-Preferred Name)

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Properties Simple | Detailed

Formula C19H15N7O14P2S
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2r,3s,4r,5r)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Molecular Mass 659.373 g·mol−1
Heat of Formation -1189.3 ± 16.7 kJ·mol−1
Dipole Moment 5.94 ± 1.08 D
Volume 613.27 Å 3
Surface Area 442.05 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -2.88 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2r,3s,4r,5r)-5-(4-carbamoyl-2-thiazolyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4r,5r)-5-(4-carbamoylthiazol-2-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(4-aminocarbonyl-1,3-thiazol-2-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 2-beta-d-ribofuranosyl-4-thiazolecarboxamide
  • adenosine 5'-(trihydrogen diphosphate), p'.fwdarw.5'-ester with2-.beta.-d-ribofuranosyl-4-thiazolecarboxamide
  • tcad
  • thiazole-4-carboxamide adenine dinucleotide
  • tiazofurin adenine dinucleotide
CAS Number(s)
  • 83285-83-0
InChIKey INQLNSVYIFCUML-QZTLEVGFSA-N
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