ChemSpider 2D Image | (3Z)-5-(2,5-Dihydroxyphenyl)-3-{(2E)-3-[(2S,5S)-5-(2-hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-2-propen-1-ylidene}-2(3H)-furanone | C21H24O6

(3Z)-5-(2,5-Dihydroxyphenyl)-3-{(2E)-3-[(2S,5S)-5-(2-hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-2-propen-1-ylidene}-2(3H)-furanone

  • Molecular FormulaC21H24O6
  • Average mass372.412 Da
  • Monoisotopic mass372.157288 Da
  • ChemSpider ID78441725

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3Z)-5-(2,5-Dihydroxyphenyl)-3-{(2E)-3-[(2S,5S)-5-(2-hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-2-propen-1-yliden}-2(3H)-furanon [German] [ACD/IUPAC Name]
(3Z)-5-(2,5-Dihydroxyphenyl)-3-{(2E)-3-[(2S,5S)-5-(2-hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-2-propen-1-ylidene}-2(3H)-furanone [ACD/IUPAC Name]
(3Z)-5-(2,5-Dihydroxyphényl)-3-{(2E)-3-[(2S,5S)-5-(2-hydroxy-2-propanyl)-2-méthyltétrahydro-2-furanyl]-2-propén-1-ylidène}-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 5-(2,5-dihydroxyphenyl)-3-[(2E)-3-[(2S,5S)-tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-2-propen-1-ylidene]-, (3Z)- [ACD/Index Name]
(-)-ganotheaecolumol E

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

Density: 1.4±0.1 g/cm3
Boiling Point: 629.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 223.5±25.0 °C
Index of Refraction: 1.704
Molar Refractivity: 103.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.15
ACD/KOC (pH 5.5): 573.67
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.08
ACD/KOC (pH 7.4): 572.86
Polar Surface Area: 96 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 76.3±3.0 dyne/cm
Molar Volume: 265.6±3.0 cm3

Click to predict properties on the Chemicalize site


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