ChemSpider 2D Image | (1R)-1,5-Anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-L-glucitol | C19H20O10

(1R)-1,5-Anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-L-glucitol

  • Molecular FormulaC19H20O10
  • Average mass408.356 Da
  • Monoisotopic mass408.105652 Da
  • ChemSpider ID82964286

  • 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-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-L-glucitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-L-glucitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phényl]-L-glucitol [French] [ACD/IUPAC Name]
L-Glucitol, 1,5-anhydro-1-C-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-, (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: 669.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 239.9±25.0 °C
Index of Refraction: 1.734
Molar Refractivity: 97.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.00
ACD/KOC (pH 5.5): 91.94
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.88
Polar Surface Area: 188 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 95.2±3.0 dyne/cm
Molar Volume: 243.0±3.0 cm3

Click to predict properties on the Chemicalize site


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