(1S)-1,5-Anhydro-2-O-(6-Deoxy-α-L-Mannopyranosyl)-1-[2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-4H-Chromen-6-Yl]-D-Glucitol

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Properties Simple | Detailed

Formula C27H30O15
IUPAC Name 6-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
Molecular Mass 594.518 g·mol−1
Heat of Formation -2538.9 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 637.66 Å 3
Surface Area 484.43 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
InChIKey IUYFTHKQEWZTHY-QMVGNYJJSA-N
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Elements H C O