[(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)

Molecule SVG Image

Properties Simple | Detailed

Formula C19H25N7O14P2S
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(4-carbamoylthiazol-2-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 669.453 g·mol−1
Heat of Formation -2749.0 ± 16.7 kJ·mol−1
Dipole Moment 6.58 ± 1.08 D
Volume 665.57 Å 3
Surface Area 456.22 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.46 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S