Ptelatoside B

Molecule SVG Image

Properties Simple | Detailed

Formula C20H28O10
IUPAC Name (2s,3r,4r,5r,6s)-2-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-vinylphenoxy)tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol
Molecular Mass 428.430 g·mol−1
Heat of Formation -1718.6 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 492.32 Å 3
Surface Area 398.35 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5r,6s)-2-[(2s,3r,4s,5s,6r)-2-(4-ethenylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol
  • (2s,3r,4r,5r,6s)-2-[(2s,3r,4s,5s,6r)-2-(4-ethenylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
  • (2s,3r,4r,5r,6s)-2-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-vinylphenoxy)tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol
  • (2s,3r,4r,5r,6s)-2-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-methylol-2-(4-vinylphenoxy)tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol
  • (2s,3r,4r,5r,6s)-2-[[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-vinylphenoxy)-3-tetrahydropyranyl]oxy]-6-methyltetrahydropyran-3,4,5-triol
  • acon1_001153
  • beta-d-glucopyranoside, 4-ethenylphenyl 2-o-(6-deoxy-alpha-l-mannopyranosyl)-
  • megxp0_001274
  • ptelatoside a
CAS Number(s)
  • 90852-99-6
InChIKey DIBOBJSTTKLQQV-QLDOSHOCSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O