(1S,4As,6S,7As)-4-Formyl-6-Hydroxy-7-Methylene-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-1-Yl β-L-Mannopyranoside

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Properties Simple | Detailed

Formula C16H22O9
IUPAC Name (1s,4as,6s,7as)-6-hydroxy-7-methylene-1-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1h-cyclopenta[c]pyran-4-carbaldehyde
Molecular Mass 358.340 g·mol−1
Heat of Formation -1504.6 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 400.87 Å 3
Surface Area 331.06 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,6s,7as)-6-hydroxy-7-methylene-1-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1h-cyclopenta[d]pyran-4-carbaldehyde
  • (1s,4as,6s,7as)-6-hydroxy-7-methylene-1-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1h-cyclopenta[d]pyran-4-carbaldehyde
  • (1s,4as,6s,7as)-6-hydroxy-7-methylene-1-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4a,5,6,7a-tetrahydro-1h-cyclopenta[d]pyran-4-carboxaldehyde
  • (1s,4as,6s,7as)-6-hydroxy-7-methylidene-1-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1h-cyclopenta[d]pyran-4-carbaldehyde
  • gardaloside
InChIKey KGDIDCUROGOWDM-QSGJULFDSA-N
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