[(3As,5S,6R,7S,7As)-6,7-Dihydroxy-3-(2-Hydroxyphenyl)-2-Oxohexahydro-2H-Pyrano[2,3-D][1,3]Oxazol-5-Yl]Methyl α-D-Galactopyranoside

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Properties Simple | Detailed

Formula C19H27NO12
IUPAC Name (3as,5s,6r,7s,7as)-6,7-dihydroxy-3-(6-oxocyclohexen-1-yl)-5-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-5,6,7,7a-tetrahydro-3ah-pyrano[2,3-d]oxazol-2-one
Molecular Mass 461.417 g·mol−1
Heat of Formation -2005.6 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 493.86 Å 3
Surface Area 388.05 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.80 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,5s,6r,7s,7as)-6,7-dihydroxy-3-(2-hydroxyphenyl)-5-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-5,6,7,7a-tetrahydro-3ah-pyrano[2,3-d]oxazol-2-one
  • (3as,5s,6r,7s,7as)-6,7-dihydroxy-3-(2-hydroxyphenyl)-5-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,6,7,7a-tetrahydro-3ah-pyrano[2,3-d][1,3]oxazol-2-one
  • (3as,5s,6r,7s,7as)-6,7-dihydroxy-3-(2-hydroxyphenyl)-5-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-5,6,7,7a-tetrahydro-3ah-pyrano[2,3-d]oxazol-2-one
  • (3as,5s,6r,7s,7as)-6,7-dihydroxy-3-(2-hydroxyphenyl)-5-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-5,6,7,7a-tetrahydro-3ah-pyrano[2,3-d]oxazol-2-one
  • 1-(2-hydroxyphenylamino)-1-deoxy-beta-gentiobioside 1,2-carbamate
  • 2h-pyrano[2,3-d]oxazol-2-one, 5-[(hexopyranosyloxy)methyl]hexahydro-6,7-dihydroxy-3-(2-hydroxyphenyl)-
  • 6,7-dihydroxy-3-(2-hydroxy-phenyl)-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxymethyl)-hexahydro-pyrano[2,3-d]oxazol-2-one
  • [6,7-dihydroxy-3-(2-hydroxyphenyl)-2-oxohexahydro-2h-pyrano[2,3-d][1,3]oxazol-5-yl]methyl hexopyranoside
InChIKey UQUJYJFBLXCVJV-PDXUQBQTSA-N
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