2,3,4-Tri-O-Acetyl-N-[(2-Chloroethyl)(Nitroso)Carbamoyl]-β-D-Ribopyranosylamine

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Properties Simple | Detailed

Formula C14H20ClN3O9
IUPAC Name [(3r,4r,5r,6r)-4,5-diacetoxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]tetrahydropyran-3-yl] acetate
Molecular Mass 409.776 g·mol−1
Heat of Formation -1511.0 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 454.64 Å 3
Surface Area 389.06 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4r,5r)-3,5-diacetoxy-2-[(2-chloroethyl-nitroso-carbamoyl)amino]tetrahydropyran-4-yl] acetate
  • [(2r,3r,4r,5r)-3,5-diacetyloxy-2-[(2-chloroethyl-nitroso-carbamoyl)amino]oxan-4-yl] ethanoate
  • [(2r,3r,4r,5r)-3,5-diacetyloxy-2-[(2-chloroethyl-nitrosocarbamoyl)amino]oxan-4-yl] acetate
  • acetic acid [(2r,3r,4r,5r)-3,5-diacetoxy-2-[(2-chloroethyl-nitroso-carbamoyl)amino]tetrahydropyran-4-yl] ester
  • acetic acid [(2r,3r,4r,5r)-3,5-diacetoxy-2-[[(2-chloroethyl-nitrosoamino)-oxomethyl]amino]-4-tetrahydropyranyl] ester
  • n-(2-chloroethyl)-n-nitroso-n'-(2,3,4-tri-o-acetyl-beta-d-ribopyranosyl)urea
  • urea, n-(2-chloroethyl)-n-nitroso-n'-(2,3,4-tri-o-acetyl-beta-d-ribopyranosyl)-
CAS Number(s)
  • 54138-85-1
InChIKey QMJJEUBKQJZIGH-FDYHWXHSSA-N
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