(3S,3As,6S,6Ar)-3,3A,6-Trihydroxy-3-[(1-Methyl-1H-Indol-3-Yl)Methyl]Tetrahydrofuro[3,2-B]Furan-2(3H)-One

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Properties Simple | Detailed

Formula C16H17NO6
IUPAC Name (3s,3ar,6s,6as)-3,6,6a-trihydroxy-6-[(1-methyl-2h-indol-1-ium-2-ylium-3-yl)methyl]-3,3a-dihydro-2h-furo[3,2-b]furan-5-one
Molecular Mass 319.309 g·mol−1
Heat of Formation -870.5 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 353.09 Å 3
Surface Area 303.84 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy 3.24 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,3ar,6s,6as)-3,6,6a-trihydroxy-6-[(1-methyl-3-indolyl)methyl]-3,3a-dihydro-2h-furo[2,3-d]furan-5-one
  • (3s,3ar,6s,6as)-3,6,6a-trihydroxy-6-[(1-methylindol-3-yl)methyl]-3,3a-dihydro-2h-furo[2,3-d]furan-5-one
  • 1'-methylascorbigen
  • beta-l-threo-l-glycero-3-hexulofuranosonic acid, 2-c-((1-methyl-1h-indol-3-yl)methyl)-, gamma-lactone
CAS Number(s)
  • 92557-61-4
InChIKey WRSYKCVZVFLXJL-XNISGKROSA-N
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