ChemSpider 2D Image | (1S,2R,3R,4S,5R)-2,3,4,5-Tetrahydroxycyclohexyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate | C16H20O8

(1S,2R,3R,4S,5R)-2,3,4,5-Tetrahydroxycyclohexyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

  • Molecular FormulaC16H20O8
  • Average mass340.325 Da
  • Monoisotopic mass340.115814 Da
  • ChemSpider ID30819116

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2R,3R,4S,5R)-2,3,4,5-Tetrahydroxycyclohexyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate [ACD/IUPAC Name]
(1S,2R,3R,4S,5R)-2,3,4,5-Tetrahydroxycyclohexyl-(2E)-3-(4-hydroxy-3-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
(2E)-3-(4-Hydroxy-3-méthoxyphényl)acrylate de (1S,2R,3R,4S,5R)-2,3,4,5-tétrahydroxycyclohexyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (1S,2R,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl ester, (2E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 532.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 193.7±23.6 °C
Index of Refraction: 1.642
Molar Refractivity: 82.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.24
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.19
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.10
Polar Surface Area: 137 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 80.0±5.0 dyne/cm
Molar Volume: 227.2±5.0 cm3

Click to predict properties on the Chemicalize site


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