(2R)-{[(2R,3R,4R)-2-Amino-4-Hydroxy-4-(5-Hydroxy-2-Pyridinyl)-3-Methylbutanoyl]Amino}[(2S,3R,4S,5S)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Acetic Acid (Non-Preferred Name)

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Properties Simple | Detailed

Formula C20H25N5O10++
IUPAC Name (2r)-2-[[(2r,3r,4r)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridyl)-3-methyl-butanoyl]amino]-2-[(2s,3r,4s,5s)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
Molecular Mass 495.440 g·mol−1
Heat of Formation -1663.0 ± 16.7 kJ·mol−1
Dipole Moment 7.92 ± 1.08 D
Volume 543.33 Å 3
Surface Area 444.25 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(2r,3r,4r)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridyl)-3-methyl-1-oxobutyl]amino]-2-[(2s,3r,4s,5s)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]acetic acid
  • (2r)-2-[[(2r,3r,4r)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridyl)-3-methyl-butanoyl]amino]-2-[(2s,3r,4s,5s)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
  • (2r)-2-[[(2r,3r,4r)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridyl)-3-methyl-butanoyl]amino]-2-[(2s,3r,4s,5s)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
  • (2r)-2-[[(2r,3r,4r)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methyl-butanoyl]amino]-2-[(2s,3r,4s,5s)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]ethanoic acid
  • (2r)-2-[[(2r,3r,4r)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[(2s,3r,4s,5s)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
InChIKey WWJFFVUVFNBJTN-MLOKMKBISA-N
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