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

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Properties Simple | Detailed

Formula C18H25NO13
IUPAC Name (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 463.390 g·mol−1
Heat of Formation -1927.9 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 498.87 Å 3
Surface Area 415.91 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-methylol-6-(4-nitrophenoxy)tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • 4-nitrophenyl beta-cellobioside
  • 4-nitrophenyl beta-d-cellobioside
  • beta-d-glucopyranoside, 4-nitrophenyl 4-o-beta-d-glucopyranosyl-
  • beta-d-glucopyranoside, 4-nitrophenyl 4-o-beta-d-glucopyranosyl- (9ci)
  • cellobioside, p-nitrophenyl (7ci)
  • cellobioside, p-nitrophenyl, beta-d- (8ci)
  • p-nitrophenyl beta-cellobioside
  • p-nitrophenyl beta-d-cellobioside
  • p-nitrophenyl cellobioside
  • para-nitrophenyl beta-d-cellobioside
  • pnpc
CAS Number(s)
  • 3482-57-3
InChIKey IAYJZWFYUSNIPN-KFRZSCGFSA-N
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