(1S)-1,5-Anhydro-2,6-Dideoxy-1-[5-Hydroxy-2-(4-Hydroxyphenyl)-7-Methoxy-4-Oxo-4H-Chromen-8-Yl]-D-Ribo-Hexitol

Molecule SVG Image

Properties Simple | Detailed

Formula C22H23O8+
IUPAC Name 8-[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
Molecular Mass 415.413 g·mol−1
Heat of Formation -1256.4 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 460.04 Å 3
Surface Area 379.28 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 8-(2,6-dideoxy-beta-d-ribo-hexopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
  • 8-(2,6-dideoxy-ribo-hexopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4h-1-benzopyran-4-one sesquihydrate
  • 8-[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-chromenone
  • 8-[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyl-oxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
  • 8-[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
  • 8-[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromone
  • 8-[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
  • aciculatin
CAS Number(s)
  • 134044-97-6
InChIKey RUTGHCUXABPJTJ-VAXHSPNUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O