ChemSpider 2D Image | (1R)-1,5-Anhydro-1-{3-[3-(3,4-dihydroxyphenyl)propanoyl]-2,4,6-trihydroxyphenyl}-L-glucitol | C21H24O11

(1R)-1,5-Anhydro-1-{3-[3-(3,4-dihydroxyphenyl)propanoyl]-2,4,6-trihydroxyphenyl}-L-glucitol

  • Molecular FormulaC21H24O11
  • Average mass452.409 Da
  • Monoisotopic mass452.131866 Da
  • ChemSpider ID82965863

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-1-{3-[3-(3,4-dihydroxyphenyl)propanoyl]-2,4,6-trihydroxyphenyl}-L-glucitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-{3-[3-(3,4-dihydroxyphenyl)propanoyl]-2,4,6-trihydroxyphenyl}-L-glucitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-{3-[3-(3,4-dihydroxyphényl)propanoyl]-2,4,6-trihydroxyphényl}-L-glucitol [French] [ACD/IUPAC Name]
L-Glucitol, 1,5-anhydro-1-C-[3-[3-(3,4-dihydroxyphenyl)-1-oxopropyl]-2,4,6-trihydroxyphenyl]-, (1R)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 753.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 263.6±26.4 °C
Index of Refraction: 1.731
Molar Refractivity: 108.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 3.99
ACD/KOC (pH 5.5): 93.11
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 32.10
Polar Surface Area: 208 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 95.9±3.0 dyne/cm
Molar Volume: 272.1±3.0 cm3

Click to predict properties on the Chemicalize site


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