2-O-Acryloyl-3,6-Bis-O-(3-Nitropropanoyl)-α-D-Altropyranose

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Properties Simple | Detailed

Formula C15H20N2O13
IUPAC Name [(2r,3r,4r,5s,6s)-3,6-dihydroxy-4-(3-nitropropanoyloxy)-5-prop-2-enoyloxy-tetrahydropyran-2-yl]methyl 3-nitropropanoate
Molecular Mass 436.325 g·mol−1
Heat of Formation -1674.9 ± 16.7 kJ·mol−1
Dipole Moment 6.55 ± 1.08 D
Volume 471.71 Å 3
Surface Area 423.78 Å 2
HOMO Energy -10.73 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • 2-o-acryloyl-3,6-di-o-[3-nitropropanoyl]-alpha-d-glucopyranose
  • [(2s,3s,4r,5r,6r)-2,5-dihydroxy-4-(3-nitropropanoyloxy)-6-(3-nitropropanoyloxymethyl)oxan-3-yl] prop-2-enoate
  • [(2s,3s,4r,5r,6r)-2,5-dihydroxy-4-(3-nitropropanoyloxy)-6-(3-nitropropanoyloxymethyl)tetrahydropyran-3-yl] prop-2-enoate
  • acrylic acid [(2s,3s,4r,5r,6r)-2,5-dihydroxy-4-(3-nitropropanoyloxy)-6-(3-nitropropanoyloxymethyl)tetrahydropyran-3-yl] ester
  • kirilowin b
  • prop-2-enoic acid [(2s,3s,4r,5r,6r)-2,5-dihydroxy-4-(3-nitro-1-oxopropoxy)-6-[(3-nitro-1-oxopropoxy)methyl]-3-tetrahydropyranyl] ester
InChIKey IWNWSZVDQOEIBT-LPCRZITISA-N
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