(2S,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-4-Hydroxy-3-Methoxytetrahydro-2-Furanyl]-2-Oxoethoxy}-3,4-Dihydroxy-N-[(3S,7R)-7-Methyl-2-Oxo-3-Azepanyl]-3,4-Dihydro-2H-Pyran-6-Carboxamide

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Properties Simple | Detailed

Formula C24H33N5O12
IUPAC Name (2s,3s,4s)-2-[(1r)-2-amino-1-[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-oxo-ethoxy]-3,4-dihydroxy-n-[(3s,7r)-7-methyl-2-oxo-azepan-3-yl]-3,4-dihydro-2h-pyran-6-carboxamide
Molecular Mass 583.545 g·mol−1
Heat of Formation -2102.4 ± 16.7 kJ·mol−1
Dipole Moment 13.78 ± 1.08 D
Volume 644.69 Å 3
Surface Area 471.17 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5s,6s)-6-[(1r)-2-amino-1-[(2s,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-keto-ethoxy]-4,5-dihydroxy-n-[(3s,7r)-2-keto-7-methyl-azepan-3-yl]-5,6-dihydro-4h-pyran-2-carboxamide
  • (4s,5s,6s)-6-[(1r)-2-amino-1-[(2s,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-methoxy-2-tetrahydrofuranyl]-2-oxoethoxy]-4,5-dihydroxy-n-[(3s,7r)-7-methyl-2-oxo-3-azepanyl]-5,6-dihydro-4h-pyran-2-carboxamide
  • (4s,5s,6s)-6-[(1r)-2-amino-1-[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-oxolan-2-yl]-2-oxo-ethoxy]-4,5-dihydroxy-n-[(3s,7r)-7-methyl-2-oxo-azepan-3-yl]-5,6-dihydro-4h-pyran-2-carboxamide
  • (4s,5s,6s)-6-[(1r)-2-amino-1-[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-oxo-ethoxy]-4,5-dihydroxy-n-[(3s,7r)-7-methyl-2-oxo-azepan-3-yl]-5,6-dihydro-4h-pyran-2-carboxamide
  • (4s,5s,6s)-6-[(1r)-2-amino-1-[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-4,5-dihydroxy-n-[(3s,7r)-7-methyl-2-oxoazepan-3-yl]-5,6-dihydro-4h-pyran-2-carboxamide
  • 6-{carbamoyl-[5-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydro-furan-2-yl]-methoxy}-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid (7-methyl-2-oxo-azepan-3-yl)-amide
  • 6-{carbamoyl-[5-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydro-furan-2-yl]-methoxy}-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid, (7-methyl-2-oxo-azepan-3-yl)-amide
  • a-500359a
  • rs-112997
InChIKey RVEJXOKUHHMFKS-BPJITGRLSA-N
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