{[2-Amino-4-Hydroxy-4-(5-Hydroxy-2-Pyridinyl)-3-Methylbutanoyl]Amino}[5-(4-Formyl-2-Oxo-2,3-Dihydro-1H-Imidazol-1-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Acetic Acid

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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-(4-formyl-2-oxo-imidazole-1,3-diium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
Molecular Mass 495.440 g·mol−1
Heat of Formation -1586.4 ± 16.7 kJ·mol−1
Dipole Moment 7.23 ± 1.08 D
Volume 549.74 Å 3
Surface Area 446.67 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 2.23 ± 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-(4-formyl-2-oxo-3h-imidazol-1-yl)-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-(4-formyl-2-keto-3h-imidazol-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-(4-formyl-2-oxo-3h-imidazol-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)-3,4-dihydroxy-5-(4-methanoyl-2-oxo-3h-imidazol-1-yl)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-(4-formyl-2-oxo-3h-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
InChIKey AYXHZRVSIUJLAE-VHDFTHOZSA-N
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