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ChemSpider 2D Image | 8-(D-Arabinopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl D-glucopyranoside | C26H28O16

8-(D-Arabinopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl D-glucopyranoside

  • Molecular FormulaC26H28O16
  • Average mass596.491 Da
  • Monoisotopic mass596.137756 Da
  • ChemSpider ID32054985

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

Date of deprecation: 10:10, Feb 7, 2022
Reason for deprecation: Deprecate record: All data sources are vendors with incorrect structures for schaftoside (correct structure is https://www.chemspider.com/Chemical-Structure.391019.html)

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4H-1-Benzopyran-4-one, 8-(D-arabinopyranosyloxy)-6-(D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
8-(D-Arabinopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl D-glucopyranoside [ACD/IUPAC Name]
8-(D-Arabinopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl-D-glucopyranosid [German] [ACD/IUPAC Name]
D-Glucopyranoside de 8-(D-arabinopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-6-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 1028.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.4±3.0 kJ/mol
Flash Point: 342.7±27.8 °C
Index of Refraction: 1.754
Molar Refractivity: 135.0±0.3 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -3.06
ACD/LogD (pH 5.5): -3.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 115.3±3.0 dyne/cm
Molar Volume: 330.2±3.0 cm3

Click to predict properties on the Chemicalize site


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