ChemSpider 2D Image | Rutarin | C21H26O9

Rutarin

  • Molecular FormulaC21H26O9
  • Average mass422.426 Da
  • Monoisotopic mass422.157684 Da
  • ChemSpider ID35518518

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(5R)-5-Éthyl-β-D-xylopyranoside de 2-(2-hydroxy-2-propanyl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromén-9-yle [French] [ACD/IUPAC Name]
2-(2-Hydroxy-2-propanyl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-9-yl (5R)-5-ethyl-β-D-xylopyranoside [ACD/IUPAC Name]
2-(2-Hydroxy-2-propanyl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-9-yl-(5R)-5-ethyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(6,7-dideoxy-β-D-gluco-heptopyranosyl)oxy]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)- [ACD/Index Name]
Rutarin
20320-81-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 675.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 237.8±25.0 °C
Index of Refraction: 1.626
Molar Refractivity: 102.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.25
ACD/KOC (pH 5.5): 98.03
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.25
ACD/KOC (pH 7.4): 98.02
Polar Surface Area: 135 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 290.6±3.0 cm3

Click to predict properties on the Chemicalize site


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