1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-Amino-5-(Carbamoyloxy)-3,4-Dihydroxypentanoyl]Amino}(Carboxy)Methyl]-3,4-Dihydroxytetrahydro-2-Furanyl}-2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinecarboxylic Acid (Non-Preferred Name)

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Properties Simple | Detailed

Formula C17H23N5O14
IUPAC Name 1-[(2r,3r,4s,5r)-5-[(s)-[[(2s,3s,4s)-2-amino-5-carbamoyloxy-3,4-dihydroxy-pentanoyl]amino]-carboxy-methyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidine-5-carboxylic acid
Molecular Mass 521.390 g·mol−1
Heat of Formation -2512.5 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 548.68 Å 3
Surface Area 444.92 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-d-allofuranuronic acid, 5-[[2-amino-5-o-(aminocarbonyl)-2-deoxy-l-xylonoyl]amino]-1-(5-carboxy-3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinyl)-1,5-dideoxy-
  • 1-[(2r,3r,4s,5r)-5-[(1s)-1-[[(2s,3s,4s)-2-amino-5-aminocarbonyloxy-3,4-dihydroxy-pentanoyl]amino]-2-hydroxy-2-oxo-ethyl]-3,4-dihydroxy-oxolan-2-yl]-2,4-dioxo-pyrimidine-5-carboxylic acid
  • 1-[(2r,3r,4s,5r)-5-[(1s)-1-[[(2s,3s,4s)-2-amino-5-carbamoyloxy-3,4-dihydroxy-1-oxopentyl]amino]-2-hydroxy-2-oxoethyl]-3,4-dihydroxy-2-tetrahydrofuranyl]-2,4-dioxo-5-pyrimidinecarboxylic acid
  • 1-[(2r,3r,4s,5r)-5-[(1s)-1-[[(2s,3s,4s)-2-amino-5-carbamoyloxy-3,4-dihydroxy-pentanoyl]amino]-2-hydroxy-2-keto-ethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-2,4-diketo-pyrimidine-5-carboxylic acid
  • 1-[(2r,3r,4s,5r)-5-[(1s)-1-[[(2s,3s,4s)-2-amino-5-carbamoyloxy-3,4-dihydroxy-pentanoyl]amino]-2-hydroxy-2-oxo-ethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidine-5-carboxylic acid
  • 1-[(2r,3r,4s,5r)-5-[(1s)-1-[[(2s,3s,4s)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-hydroxy-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid
  • 5-pyrimidinecarboxylic acid, 1-(5-(2-amino-2-deoxy-l-xylonamido)-5-deoxy-beta-d-allofuranuronosyl)-1,2,3,4-tetrahydro-2,4-dioxo-, monocarbamate (ester)
  • beta-d-allofuranuronic acid, 5-((2-amino-5-o-(aminocarbonyl)-2-deoxy-l-xylonoyl)amino)-1-(5-carboxy-3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinyl)-1,5-dideoxy-
  • polyoxin d
  • polyoxin z
  • polyoxorim
InChIKey JPFWJDMDPLEUBD-ITJAGOAWSA-N
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