ChemSpider 2D Image | (1R,2S,5S,6R)-5,6-Bis[(4-methoxybenzyl)oxy]-2-(tetrahydro-2H-pyran-2-yloxy)-3-cyclohexen-1-yl acetate | C29H36O8

(1R,2S,5S,6R)-5,6-Bis[(4-methoxybenzyl)oxy]-2-(tetrahydro-2H-pyran-2-yloxy)-3-cyclohexen-1-yl acetate

  • Molecular FormulaC29H36O8
  • Average mass512.591 Da
  • Monoisotopic mass512.241028 Da
  • ChemSpider ID9137517

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,2S,5S,6R)-5,6-Bis[(4-methoxybenzyl)oxy]-2-(tetrahydro-2H-pyran-2-yloxy)-3-cyclohexen-1-yl acetate [ACD/IUPAC Name]
(1R,2S,5S,6R)-5,6-Bis[(4-methoxybenzyl)oxy]-2-(tetrahydro-2H-pyran-2-yloxy)-3-cyclohexen-1-yl-acetat [German] [ACD/IUPAC Name]
3-Cyclohexen-1-ol, 5,6-bis[(4-methoxyphenyl)methoxy]-2-[(tetrahydro-2H-pyran-2-yl)oxy]-, acetate, (1R,2S,5S,6R)- [ACD/Index Name]
Acétate de (1R,2S,5S,6R)-5,6-bis[(4-méthoxybenzyl)oxy]-2-(tétrahydro-2H-pyran-2-yloxy)-3-cyclohexén-1-yle [French] [ACD/IUPAC Name]
(1R,2S,5S,6R)-5,6-bis[(4-methoxyphenyl)methoxy]-2-(oxan-2-yloxy)cyclohex-3-en-1-yl acetate
210764-95-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 622.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 262.0±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1043.86
ACD/KOC (pH 5.5): 5038.99
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1043.86
ACD/KOC (pH 7.4): 5038.99
Polar Surface Area: 82 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 423.5±5.0 cm3

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