(2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-[Methyl(Nitroso)Amino]Tetrahydro-2H-Pyran-3,4,5-Triol

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Formula C7H14N2O6
IUPAC Name n-methyl-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]nitrous amide
Molecular Mass 222.196 g·mol−1
Heat of Formation -912.7 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 248.93 Å 3
Surface Area 229.07 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • beta-d-glucopyranosylamine, n-methyl-n-nitroso-
  • beta-d-glucosylamine, n-methyl-n-nitroso-
  • n-methyl-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]nitrous amide
  • n-methyl-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]nitrous amide
  • n-methyl-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]nitrous amide
  • n-methyl-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]nitrous amide
  • n-methyl-n-nitroso-beta-d-glucosamine
  • n-methyl-n-nitroso-beta-d-glucosylamine
CAS Number(s)
  • 31364-55-3
InChIKey PQVVFFHCHCQSDK-XUUWZHRGSA-N
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