(2R)-2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-({[({[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}Phosphinato)Oxy]Phosphinato}Oxy)-5-Hydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-4-Yl]Oxy}Propanoate

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Properties Simple | Detailed

Formula C20H31N3O19P2
IUPAC Name (2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoate
Molecular Mass 679.416 g·mol−1
Heat of Formation -3660.9 ± 16.7 kJ·mol−1
Dipole Moment 25.90 ± 1.08 D
Volume 693.61 Å 3
Surface Area 530.95 Å 2
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl]oxypropionate
  • (2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoate
  • (2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoate
  • (2r)-2-[[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl]oxy]propanoate
InChIKey NQBRVZNDBBMBLJ-MQTLHLSBSA-K
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