ChemSpider 2D Image | (3S,6S)-3-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-3-hydroxy-6-isopropenyltetrahydro-2H-pyran-2-one | C16H18O6

(3S,6S)-3-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-3-hydroxy-6-isopropenyltetrahydro-2H-pyran-2-one

  • Molecular FormulaC16H18O6
  • Average mass306.310 Da
  • Monoisotopic mass306.110352 Da
  • ChemSpider ID78441065

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,6S)-3-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-3-hydroxy-6-isopropenyltetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(3S,6S)-3-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-3-hydroxy-6-isopropenyltetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(3S,6S)-3-[2-(2,5-Dihydroxyphényl)-2-oxoéthyl]-3-hydroxy-6-isopropényltétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]tetrahydro-3-hydroxy-6-(1-methylethenyl)-, (3S,6S)- [ACD/Index Name]
(-)-chizhine C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 554.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 206.5±23.6 °C
Index of Refraction: 1.595
Molar Refractivity: 77.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.31
ACD/KOC (pH 5.5): 158.46
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.75
ACD/KOC (pH 7.4): 147.77
Polar Surface Area: 104 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 228.8±3.0 cm3

Click to predict properties on the Chemicalize site


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