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

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Properties Simple | Detailed

Formula C9H17N3O7
IUPAC Name 1-ethyl-3-[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]-1-nitroso-urea
Molecular Mass 279.247 g·mol−1
Heat of Formation -1080.6 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 319.49 Å 3
Surface Area 277.49 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 1-ethyl-1-nitroso-3-[(2r,3r,4s,5r)-3,4,5,6-tetrahydroxy-1-oxo-hexan-2-yl]urea
  • 1-ethyl-1-nitroso-3-[(2r,3r,4s,5r)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]urea
  • 1-ethyl-3-[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]-1-nitroso-urea
  • 1-ethyl-3-[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxypentyl]-1-nitrosourea
  • d-glucose, 2-deoxy-2-(((ethylnitrosoamino)carbonyl)amino)-
  • denu
  • deoxy-2-(((ethylnitrosoamino)carbonyl)amino)-d-glucopyranose
  • u 30,964
  • u 30964
  • u-30,964
  • u-30964
CAS Number(s)
  • 41135-12-0
InChIKey WWLGOUGRCRDLDG-LXGUWJNJSA-N
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