4-[(1R,3As,4R,6Ar)-4-(1,3-Benzodioxol-5-Yl)-6-Oxotetrahydro-1H,3H-Furo[3,4-C]Furan-1-Yl]-2-Methoxyphenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C26H28O12
IUPAC Name (3r,3ar,6r,6as)-6-(1,3-benzodioxol-5-yl)-3-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3,3a,6,6a-tetrahydro-1h-furo[3,4-c]furan-4-one
Molecular Mass 532.493 g·mol−1
Heat of Formation -1805.4 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 584.73 Å 3
Surface Area 489.09 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3as,4r,6ar)-4-(1,3-benzodioxol-5-yl)-1-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-3,3a,4,6a-tetrahydro-1h-furo[3,4-c]furan-6-one
  • (1r,3as,4r,6ar)-4-(1,3-benzodioxol-5-yl)-1-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,3a,4,6a-tetrahydro-1h-furo[3,4-c]furan-6-one
  • (1r,3as,4r,6ar)-4-(1,3-benzodioxol-5-yl)-1-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3,3a,4,6a-tetrahydro-1h-furo[3,4-c]furan-6-one
  • (1r,3as,4r,6ar)-4-(1,3-benzodioxol-5-yl)-1-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-3,3a,4,6a-tetrahydro-1h-furo[3,4-c]furan-6-one
  • (1r,3as,4r,6ar)-4-(1,3-benzodioxol-5-yl)-1-[3-methoxy-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-3,3a,4,6a-tetrahydro-1h-furo[3,4-c]furan-6-one
InChIKey HMBAEDHCQQWOCW-KVDZAEMRSA-N
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