3'-Deoxy-N-Methyladenosine 5'-(Tetrahydrogen Triphosphate)

Molecule SVG Image

Properties Simple | Detailed

Formula C11H18N5O12P3
IUPAC Name [hydroxy-[[(2s,4r,5r)-4-hydroxy-5-[6-(methylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular Mass 505.208 g·mol−1
Heat of Formation -2863.6 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 488.56 Å 3
Surface Area 420.73 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,4r,5r)-4-hydroxy-5-(6-methylamino-9-purinyl)-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2s,4r,5r)-4-hydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2s,4r,5r)-4-hydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2s,4r,5r)-4-hydroxy-5-(6-methylaminopurin-9-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • m6 datp
CAS Number(s)
  • 5085-65-4
InChIKey ATIKTICAJNFDJT-MVKOHCKWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C P O N