2-Deoxy-2-{[Methyl(Nitroso)Carbamoyl]Amino}-β-D-Glucopyranose

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Formula C8H15N3O7
IUPAC Name 1-methyl-1-nitroso-3-[(2r,3r,4r,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]urea
Molecular Mass 265.221 g·mol−1
Heat of Formation -1099.7 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 285.78 Å 3
Surface Area 263.24 Å 2
HOMO Energy -10.37 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-1-nitroso-3-[(2r,3r,4r,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]urea
  • 1-methyl-1-nitroso-3-[(2r,3r,4r,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea
  • 1-methyl-1-nitroso-3-[(2r,3r,4r,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]urea
  • 1-methyl-1-nitroso-3-[(2r,3r,4r,5s,6r)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]urea
InChIKey ZSJLQEPLLKMAKR-NYMZXIIRSA-N
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