Methyl 2,4-Di-O-Acetyl-3-Deoxy-3-Methyl-3-Nitro-β-D-Xylopyranoside

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Properties Simple | Detailed

Formula C11H17NO8
IUPAC Name [(3s,4s,5r,6r)-5-acetoxy-6-methoxy-4-methyl-4-nitro-tetrahydropyran-3-yl] acetate
Molecular Mass 291.255 g·mol−1
Heat of Formation -1151.2 ± 16.7 kJ·mol−1
Dipole Moment 6.87 ± 1.08 D
Volume 327.12 Å 3
Surface Area 285.47 Å 2
HOMO Energy -10.38 ± 0.55 eV
LUMO Energy 3.03 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,4s,5r,6r)-5-acetoxy-6-methoxy-4-methyl-4-nitro-tetrahydropyran-3-yl] acetate
  • [(3s,4s,5r,6r)-5-acetyloxy-6-methoxy-4-methyl-4-nitro-oxan-3-yl] ethanoate
  • [(3s,4s,5r,6r)-5-acetyloxy-6-methoxy-4-methyl-4-nitrooxan-3-yl] acetate
  • acetic acid [(3s,4s,5r,6r)-5-acetoxy-6-methoxy-4-methyl-4-nitro-3-tetrahydropyranyl] ester
  • acetic acid [(3s,4s,5r,6r)-5-acetoxy-6-methoxy-4-methyl-4-nitro-tetrahydropyran-3-yl] ester
  • beta-d-xylopyranoside, methyl 3-deoxy-3-c-methyl-3-nitro-, 2,4-diacetate
  • mdadmnxp
  • methyl 2,4-di-o-acetyl-3-deoxy-3-c-methyl-3-nitro beta-d-xylopyranoside
  • methyl 2,4-di-o-acetyl-3-deoxy-3-c-methyl-3-nitro-beta-d-xylopyranoside
CAS Number(s)
  • 74595-62-3
InChIKey QWPUFLUZODDGIW-YTWAJWBKSA-N
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