ChemSpider 2D Image | (5R)-5-{[3,4-Dihydroxy(~2~H_3_)phenyl]methyl}dihydro-2(3H)-furanone | C11H9D3O4

(5R)-5-{[3,4-Dihydroxy(2H3)phenyl]methyl}dihydro-2(3H)-furanone

  • Molecular FormulaC11H9D3O4
  • Average mass211.229 Da
  • Monoisotopic mass211.092392 Da
  • ChemSpider ID58784992

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5R)-5-{[3,4-Dihydroxy(2H3)phenyl]methyl}dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(5R)-5-{[3,4-Dihydroxy(2H3)phenyl]methyl}dihydro-2(3H)-furanone [ACD/IUPAC Name]
(5R)-5-{[3,4-Dihydroxy(2H3)phényl]méthyl}dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 5-[(4,5-dihydroxyphenyl-2,3,6-d3)methyl]dihydro-, (5R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 468.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 190.6±16.7 °C
Index of Refraction: 1.619
Molar Refractivity: 53.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 37.77
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.11
ACD/KOC (pH 7.4): 37.46
Polar Surface Area: 67 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 151.4±3.0 cm3

Click to predict properties on the Chemicalize site


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