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

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Properties Simple | Detailed

Formula C8H15N3O7
IUPAC Name 3-[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]-1-methyl-1-nitroso-urea
Molecular Mass 265.221 g·mol−1
Heat of Formation -1063.3 ± 16.7 kJ·mol−1
Dipole Moment 1.65 ± 1.08 D
Volume 293.26 Å 3
Surface Area 264.63 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-1-nitroso-3-[(2r,3r,4s,5r)-3,4,5,6-tetrahydroxy-1-oxo-hexan-2-yl]urea
  • 1-methyl-1-nitroso-3-[(2r,3r,4s,5r)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]urea
  • 3-[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]-1-methyl-1-nitroso-urea
  • 3-[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxypentyl]-1-methyl-1-nitrosourea
InChIKey AGRCPNMCOXLKFO-BDVNFPICSA-N
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