[(2R,3S,5R)-5-(6-Amino-9H-Purin-9-Yl)-3-Hydroxytetrahydro-2-Furanyl]Methyl [(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Tetrahydro-2-Furanyl]Methyl Hydrogen Phosphate (Non-Preferred Name)

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Properties Simple | Detailed

Formula C20H26N7O10P
IUPAC Name [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 555.435 g·mol−1
Heat of Formation -1840.7 ± 16.7 kJ·mol−1
Dipole Moment 7.28 ± 1.08 D
Volume 580.53 Å 3
Surface Area 479.4 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxyadenylyl-(3'-5')-thymidine
  • [(2r,3s,5r)-5-(6-amino-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
  • adenosine, thymidylyl-(5'-3')-2'-deoxy-
  • d(apt)
CAS Number(s)
  • 23339-47-1
  • 51236-29-4
  • 51539-70-9
  • 81305-44-4
InChIKey DRHQKJKROQSOGW-BBZRCZKMSA-N
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