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

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Properties Simple | Detailed

Formula C9H16ClN3O7
IUPAC Name 1-(2-chloroethyl)-1-nitroso-3-[(1s,2s,3r)-2,3,4-trihydroxy-1-[(1r)-1-hydroxy-2-oxo-ethyl]butyl]urea
Molecular Mass 313.692 g·mol−1
Heat of Formation -1127.2 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 334.2 Å 3
Surface Area 297.45 Å 2
HOMO Energy -10.33 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-chloroethyl)-1-nitroso-3-[(1s,2s,3r)-2,3,4-trihydroxy-1-[(1r)-1-hydroxy-2-keto-ethyl]butyl]urea
  • 1-(2-chloroethyl)-1-nitroso-3-[(1s,2s,3r)-2,3,4-trihydroxy-1-[(1r)-1-hydroxy-2-oxo-ethyl]butyl]urea
  • 1-(2-chloroethyl)-1-nitroso-3-[(1s,2s,3r)-2,3,4-trihydroxy-1-[(1r)-1-hydroxy-2-oxoethyl]butyl]urea
  • 1-(2-chloroethyl)-1-nitroso-3-[(2r,3s,4s,5r)-2,4,5,6-tetrahydroxy-1-oxo-hexan-3-yl]urea
  • 1-(2-chloroethyl)-1-nitroso-3-[(2r,3s,4s,5r)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]urea
  • 1-(2-chloroethyl)-3-(d-glucos-3-yl)-1-nitrosourea
  • 3-(3-(2-chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose
  • d-glucose, 3-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-
  • kcnu
  • urea, 1-(2-chloroethyl)-3-(d-glucopyranos-3-yl)-1-nitroso-
CAS Number(s)
  • 73237-82-8
InChIKey IMJRVRXAQMLTQC-LXGUWJNJSA-N
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Elements H C N O Cl