[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]Methyl (3R)-4-({3-[(2-{[(3,5-Dihydroxyphenyl)Acetyl]Amino}Ethyl)Amino]-3-Oxopropyl}Amino)-3-Hydroxy-2,2-Dimethyl-4-Oxobutyl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C29H43N8O19P3
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3-dihydroxyphosphoryloxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3r)-4-[[3-[2-[[2-(3,5-dihydroxyphenyl)acetyl]amino]ethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butyl] hydrogen phosphate
Molecular Mass 900.615 g·mol−1
Heat of Formation 237.4 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 834.38 Å 3
Surface Area 720.1 Å 2
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-3-phosphonooxy-2-tetrahydrofuranyl]methyl [[(3r)-4-[[3-[2-[[2-(3,5-dihydroxyphenyl)-1-oxoethyl]amino]ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl [[(3r)-4-[[3-[2-[2-(3,5-dihydroxyphenyl)ethanoylamino]ethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl [[(3r)-4-[[3-[2-[[2-(3,5-dihydroxyphenyl)acetyl]amino]ethylamino]-3-keto-propyl]amino]-3-hydroxy-4-keto-2,2-dimethyl-butoxy]-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl [[(3r)-4-[[3-[2-[[2-(3,5-dihydroxyphenyl)acetyl]amino]ethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-hydroxy-phosphoryl] hydrogen phosphate
  • ye1
InChIKey MSJGSRHUBFYIJV-CECATXLMSA-N
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