(2R,4S)-5-(β-D-Threo-Hexopyranosyloxy)-4-Methoxy-2-(4-Methoxyphenyl)-6,8-Dimethyl-3,4-Dihydro-2H-Chromen-7-Yl β-D-Threo-Hexopyranoside

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Properties Simple | Detailed

Formula C31H42O15
IUPAC Name (3s,4s,6s)-2-(hydroxymethyl)-6-[(2r,4s)-4-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-5-[(2s,4s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-7-yl]oxy-tetrahydropyran-3,4,5-triol
Molecular Mass 654.656 g·mol−1
Heat of Formation 1699.3 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 713.26 Å 3
Surface Area 574.23 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
InChIKey MQPDBDMSPVPGHL-NWKFIEAQSA-N
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Elements C O