(2S)-5-Hydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-4-Oxo-3,4-Dihydro-2H-Chromen-7-Yl 6-O-(6-Deoxy-β-L-Mannopyranosyl)-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C18H10O15
IUPAC Name formaldehyde; 2-(4-hydroxybuta-1,3-diynoxy)-6-(oxomethylene)tetrahydropyran-3,4,5-trione; 2-methylenetetrahydropyran-3,4,5-trione; molecular oxygen
Molecular Mass 466.263 g·mol−1
Heat of Formation -2538.4 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 664.41 Å 3
Surface Area 546.67 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chroman-4-one
  • (2s)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one
  • (2s)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychroman-4-one
  • (2s)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromanone
  • sdccgmls-0066562.p001
InChIKey QUQPHWDTPGMPEX-UZRWAPQLSA-N
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