(3S,6S,7R,8R)-8-Benzyl-3-{[(3-Hydroxy-4-Methoxy-2-Pyridinyl)Carbonyl]Amino}-6-Methyl-4,9-Dioxo-1,5-Dioxonan-7-Yl 2-Methylpropanoate

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Properties Simple | Detailed

Formula C26H30N2O9
IUPAC Name [(3s,6s,7r,8r)-8-benzyl-3-[(3-hydroxy-4-methoxy-pyridine-2-carbonyl)amino]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate
Molecular Mass 514.524 g·mol−1
Heat of Formation -1421.8 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 595.66 Å 3
Surface Area 499.22 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropanoic acid [(3s,6s,7r,8r)-3-[[(3-hydroxy-4-methoxy-2-pyridyl)-oxomethyl]amino]-6-methyl-4,9-dioxo-8-(phenylmethyl)-1,5-dioxonan-7-yl] ester
  • 2-methylpropionic acid [(3s,6s,7r,8r)-8-(benzyl)-3-[(3-hydroxy-4-methoxy-pyridine-2-carbonyl)amino]-4,9-diketo-6-methyl-1,5-dioxonan-7-yl] ester
  • [(3s,6s,7r,8r)-3-[(3-hydroxy-4-methoxy-pyridin-2-yl)carbonylamino]-6-methyl-4,9-dioxo-8-(phenylmethyl)-1,5-dioxonan-7-yl] 2-methylpropanoate
  • [(3s,6s,7r,8r)-3-[(3-hydroxy-4-methoxy-pyridine-2-carbonyl)amino]-6-methyl-4,9-dioxo-8-(phenylmethyl)-1,5-dioxonan-7-yl] 2-methylpropanoate
  • [(3s,6s,7r,8r)-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-4,9-dioxo-8-(phenylmethyl)-1,5-dioxonan-7-yl] 2-methylpropanoate
  • isobutyric acid (3s,6s,7r,8r)-8-benzyl-3-{[1-(3-hydroxy-4-methoxy-pyridin-2-yl)-methanoyl]-amino}-6-methyl-4,9-dioxo-[1,5]dioxonan-7-yl ester
  • uk-2a
InChIKey MLGCATYQZVMGBG-PBWVOLNLSA-N
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