ChemSpider 2D Image | (6R,7R)-2-[2-(4-Methoxyphenyl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-chromene-5,6,7,8-tetrayl tetraacetate | C26H28O11

(6R,7R)-2-[2-(4-Methoxyphenyl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-chromene-5,6,7,8-tetrayl tetraacetate

  • Molecular FormulaC26H28O11
  • Average mass516.494 Da
  • Monoisotopic mass516.163147 Da
  • ChemSpider ID4479473

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(6R,7R)-2-[2-(4-Methoxyphenyl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-chromen-5,6,7,8-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(6R,7R)-2-[2-(4-Methoxyphenyl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-chromene-5,6,7,8-tetrayl tetraacetate [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5,6,7,8-tetrakis(acetyloxy)-5,6,7,8-tetrahydro-2-[2-(4-methoxyphenyl)ethyl]-, (6R,7R)- [ACD/Index Name]
Tetraacétate de (6R,7R)-2-[2-(4-méthoxyphényl)éthyl]-4-oxo-5,6,7,8-tétrahydro-4H-chromène-5,6,7,8-tétrayle [French] [ACD/IUPAC Name]
5α,6β,7β,8α-Tetraacetoxy-2-[2-(4 -methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-chromone (AH1a)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 612.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 259.9±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 125.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 597.70
ACD/KOC (pH 5.5): 3380.73
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 597.70
ACD/KOC (pH 7.4): 3380.73
Polar Surface Area: 141 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 387.3±5.0 cm3

Click to predict properties on the Chemicalize site


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