{[(2S,3S,4S)-2-Amino-4-Hydroxy-4-(5-Hydroxypyridin-2-Yl)-3-Methylbutanoyl]Amino}[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]Acetic Acid (Non-Preferred Name)

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Properties Simple | Detailed

Formula C20H25N5O10++
IUPAC Name (2s)-2-[[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridyl)-3-methyl-butanoyl]amino]-2-[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
Molecular Mass 495.440 g·mol−1
Heat of Formation -1657.0 ± 16.7 kJ·mol−1
Dipole Moment 11.86 ± 1.08 D
Volume 546.73 Å 3
Surface Area 452.27 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridyl)-3-methyl-1-oxobutyl]amino]-2-[(2r,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]acetic acid
  • (2s)-2-[[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridyl)-3-methyl-butanoyl]amino]-2-[(2r,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
  • (2s)-2-[[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridyl)-3-methyl-butanoyl]amino]-2-[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
  • (2s)-2-[[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methyl-butanoyl]amino]-2-[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]ethanoic acid
  • (2s)-2-[[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
  • .beta.-d-allofuranuronic acid, 5-[[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-1,5-dideoxy-1-(3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinyl)-
  • nkz
InChIKey WWJFFVUVFNBJTN-VHDFTHOZSA-N
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