ChemSpider 2D Image | (1S,2S,3S,4R)-1,2,3-trihydroxycyclohexane-1,4-diyl (2E,2'E)bis[3-(3,4-dihydroxyphenyl)acrylate] | C25H24O12

(1S,2S,3S,4R)-1,2,3-trihydroxycyclohexane-1,4-diyl (2E,2'E)bis[3-(3,4-dihydroxyphenyl)acrylate]

  • Molecular FormulaC25H24O12
  • Average mass516.451 Da
  • Monoisotopic mass516.126770 Da
  • ChemSpider ID5020639

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,3S,4R)-1,2,3-trihydroxycyclohexane-1,4-diyl (2E,2'E)bis[3-(3,4-dihydroxyphenyl)acrylate]
(1S,2S,3S,4R)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-2,3-dihydroxycyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1S,2S,3S,4R)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-2,3-dihydroxycyclohexanecarboxylic acid [ACD/IUPAC Name]
(1S,2S,3S,4R)-1,4-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2,3-dihydroxycyclohexanecarboxylic acid
1182-34-9 [RN]
214-655-7 [EINECS]
Acide (1S,2S,3S,4R)-1,4-bis{[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]oxy}-2,3-dihydroxycyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 1,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-2,3-dihydroxy-, (1S,2S,3S,4R)- [ACD/Index Name]
cyclohexanecarboxylic acid, 1,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-2,3-dihydroxy-, (1S,2S,3S,4R)-
(1S,2S,3S,4R)-1,4-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-2,3-dihydroxy-1-cyclohexanecarboxylic acid
More...

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

NCGC00091908-01 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 819.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 278.1±27.8 °C
Index of Refraction: 1.719
Molar Refractivity: 123.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.99
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 314.0±5.0 cm3

Click to predict properties on the Chemicalize site


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