Phenyl 2-C-Acetamido-2-O-Methyl-4-C-[(E)-2-Nitrovinyl]-β-D-Mannopyranoside

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Properties Simple | Detailed

Formula C17H22N2O9
IUPAC Name n-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxy-5-[(e)-2-nitrovinyl]-2-phenoxy-tetrahydropyran-3-yl]acetamide
Molecular Mass 398.365 g·mol−1
Heat of Formation -1132.2 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 442.34 Å 3
Surface Area 368.06 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methoxy-4-(2'-nitrovinyl)phenyl-2-acetamido-2-deoxy-beta-glucopyranoside
  • beta-d-glucopyranoside, 2-methoxy-4-(2-nitroethenyl)phenyl 2-(acetylamino)-2-deoxy-, (+-)-
  • mnp-glcnac
  • n-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-3-methoxy-6-methylol-5-[(e)-2-nitrovinyl]-2-(phenoxy)tetrahydropyran-3-yl]acetamide
  • n-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxy-5-[(e)-2-nitroethenyl]-2-(phenoxy)oxan-3-yl]acetamide
  • n-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxy-5-[(e)-2-nitroethenyl]-2-(phenoxy)oxan-3-yl]ethanamide
  • n-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxy-5-[(e)-2-nitrovinyl]-2-(phenoxy)-3-tetrahydropyranyl]acetamide
  • n-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxy-5-[(e)-2-nitrovinyl]-2-(phenoxy)tetrahydropyran-3-yl]acetamide
CAS Number(s)
  • 70622-74-1
InChIKey YHWRKXMTISIYOF-GVVSDTBTSA-N
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