ChemSpider 2D Image | RHODALIDIN | C26H28O16

RHODALIDIN

  • Molecular FormulaC26H28O16
  • Average mass596.491 Da
  • Monoisotopic mass596.137756 Da
  • ChemSpider ID34989257

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(β-D-xylopyranosyloxy)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-8-(β-D-xylopyranosyloxy)-4H-chromen-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-8-(β-D-xylopyranosyloxy)-4H-chromen-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
94696-37-4 [RN]
RHODALIDIN
β-D-Glucopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-8-(β-D-xylopyranosyloxy)-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Herbacetin 3-glucoside-8-xyloside

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

B3O599Q1UA [DBID]
UNII:B3O599Q1UA [DBID]
UNII-B3O599Q1UA [DBID]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 992.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.6±3.0 kJ/mol
Flash Point: 330.9±27.8 °C
Index of Refraction: 1.783
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.81
ACD/LogD (pH 7.4): -3.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 133.8±5.0 dyne/cm
Molar Volume: 317.5±5.0 cm3

Click to predict properties on the Chemicalize site


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