Geranyl 6-O-β-D-Xylopyranosyl-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C21H36O10
IUPAC Name (2r,3r,4s,5s,6r)-2-[(2e)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol
Molecular Mass 448.505 g·mol−1
Heat of Formation -1886.8 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 542.83 Å 3
Surface Area 394.13 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-2-[(2e)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(2e)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(2e)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol
  • geranyl 6-o-xylopyranosyl-glucopyranoside
  • gxpgp
CAS Number(s)
  • 150995-11-2
InChIKey IEGFOTASSBZIBZ-QLPUMLPOSA-N
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