(+)-Caprazol

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Formula C22H33N5O13
IUPAC Name (2s,5s,6s)-2-[(s)-[(2s,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-6-hydroxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
Molecular Mass 575.523 g·mol−1
Heat of Formation -2255.9 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 619.44 Å 3
Surface Area 447.67 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5s,6s)-2-[(s)-[(2s,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-2-tetrahydrofuranyl]oxy-[(2s,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl]-6-hydroxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
  • (2s,5s,6s)-2-[(s)-[(2s,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-oxolan-2-yl]oxy-[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-6-hydroxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
  • (2s,5s,6s)-2-[(s)-[(2s,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-[(2s,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-6-hydroxy-3-keto-1,4-dimethyl-1,4-diazepane-5-carboxylic acid
  • (2s,5s,6s)-2-[(s)-[(2s,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-6-hydroxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
InChIKey MSVZOGHTXZMFOH-XCECKKHWSA-N
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