4-Nitrophenyl 6-O-β-D-Glucopyranosyl-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C18H25NO13
IUPAC Name (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-nitrophenoxy)tetrahydropyran-2-yl]methoxy]tetrahydropyran-3,4,5-triol
Molecular Mass 463.390 g·mol−1
Heat of Formation -1944.0 ± 16.7 kJ·mol−1
Dipole Moment 8.42 ± 1.08 D
Volume 493.74 Å 3
Surface Area 397.61 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-(4-nitrophenoxy)-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-(4-nitrophenoxy)-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-(4-nitrophenoxy)-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol
InChIKey ISCYUJSLZREARS-NNUBVHJDSA-N
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