2-Deoxy-3-O-Methyl-2-{[Methyl(Nitroso)Carbamoyl]Amino}-D-Glucose

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Formula C9H17N3O7
IUPAC Name 3-[(1r,2r,3r,4r)-1-formyl-3,4,5-trihydroxy-2-methoxy-pentyl]-1-methyl-1-nitroso-urea
Molecular Mass 279.247 g·mol−1
Heat of Formation -1046.6 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 317.52 Å 3
Surface Area 279.88 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-1-nitroso-3-[(2r,3r,4r,5r)-4,5,6-trihydroxy-3-methoxy-1-oxo-hexan-2-yl]urea
  • 1-methyl-1-nitroso-3-[(2r,3r,4r,5r)-4,5,6-trihydroxy-3-methoxy-1-oxohexan-2-yl]urea
  • 2-deoxy-3-o-methyl-2-(((methylnitrosoamino)carbonyl)amino)-d-glucose
  • 3-[(1r,2r,3r,4r)-1-formyl-3,4,5-trihydroxy-2-methoxy-pentyl]-1-methyl-1-nitroso-urea
  • 3-[(1r,2r,3r,4r)-1-formyl-3,4,5-trihydroxy-2-methoxypentyl]-1-methyl-1-nitrosourea
  • 3-o-methyl-2-(((methylnitrosoamino)carbonyl)amino)glucopyranose
  • d-glucose, 2-deoxy-3-o-methyl-2-(((methylnitrosoamino)carbonyl)amino)-
  • mmnacag
CAS Number(s)
  • 100821-69-0
InChIKey QVXLRSXRLWPYDB-LXGUWJNJSA-N
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