10-(β-D-Glucopyranosyloxy)-8-Methoxy-6-Nitrophenanthro[3,4-D][1,3]Dioxole-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C23H21NO13
IUPAC Name 8-methoxy-6-nitro-10-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Molecular Mass 519.412 g·mol−1
Heat of Formation -1649.1 ± 16.7 kJ·mol−1
Dipole Moment 9.30 ± 1.08 D
Volume 527.49 Å 3
Surface Area 442.17 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
Synonyms
  • 8-methoxy-6-nitro-10-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
  • 8-methoxy-6-nitro-10-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
  • 8-methoxy-6-nitro-10-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
  • 8-methoxy-6-nitro-10-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
  • 8-methoxy-6-nitro-10-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5-naphtho[2,1-g][1,3]benzodioxolecarboxylic acid
  • aristoloside
  • phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 10-(beta-d-glucopyranosyloxy)-8-methoxy-6-nitro-
CAS Number(s)
  • 84014-70-0
InChIKey GMKHAVDYTAXBIY-BSTKLLGTSA-N
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