Methyl 3-(3-(2-Chloroethyl)-3-Nitrosoureido)-2,3-Dideoxy-A-D-Arabino-Hexopyranoside

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Properties Simple | Detailed

Formula C10H18ClN3O6
IUPAC Name 1-(2-chloroethyl)-3-[(2r,3s,4r,6s)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl]-1-nitroso-urea
Molecular Mass 311.719 g·mol−1
Heat of Formation -956.8 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 342.34 Å 3
Surface Area 309.0 Å 2
HOMO Energy -10.44 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-chloroethyl)-3-[(2r,3s,4r,6s)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-tetrahydropyranyl]-1-nitrosourea
  • 1-(2-chloroethyl)-3-[(2r,3s,4r,6s)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-oxan-4-yl]-1-nitroso-urea
  • 1-(2-chloroethyl)-3-[(2r,3s,4r,6s)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl]-1-nitroso-urea
  • 1-(2-chloroethyl)-3-[(2r,3s,4r,6s)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]-1-nitrosourea
  • 1-(2-chloroethyl)-3-[(2r,3s,4r,6s)-3-hydroxy-6-methoxy-2-methylol-tetrahydropyran-4-yl]-1-nitroso-urea
InChIKey YQYBWJPESSJLTK-HXFLIBJXSA-N
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