ChemSpider 2D Image | (1S,3R,4S,5R,6R)-7,7-Dichloro-4,5-bis[(4-methoxybenzyl)oxy]-3-{[(4-methoxybenzyl)oxy]methyl}-2-oxabicyclo[4.1.0]heptane | C31H34Cl2O7

(1S,3R,4S,5R,6R)-7,7-Dichloro-4,5-bis[(4-methoxybenzyl)oxy]-3-{[(4-methoxybenzyl)oxy]methyl}-2-oxabicyclo[4.1.0]heptane

  • Molecular FormulaC31H34Cl2O7
  • Average mass589.503 Da
  • Monoisotopic mass588.168152 Da
  • ChemSpider ID30656864

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,3R,4S,5R,6R)-7,7-Dichlor-4,5-bis[(4-methoxybenzyl)oxy]-3-{[(4-methoxybenzyl)oxy]methyl}-2-oxabicyclo[4.1.0]heptan [German] [ACD/IUPAC Name]
(1S,3R,4S,5R,6R)-7,7-Dichloro-4,5-bis[(4-methoxybenzyl)oxy]-3-{[(4-methoxybenzyl)oxy]methyl}-2-oxabicyclo[4.1.0]heptane [ACD/IUPAC Name]
(1S,3R,4S,5R,6R)-7,7-Dichloro-4,5-bis[(4-méthoxybenzyl)oxy]-3-{[(4-méthoxybenzyl)oxy]méthyl}-2-oxabicyclo[4.1.0]heptane [French] [ACD/IUPAC Name]
2-Oxabicyclo[4.1.0]heptane, 7,7-dichloro-4,5-bis[(4-methoxyphenyl)methoxy]-3-[[(4-methoxyphenyl)methoxy]methyl]-, (1S,3R,4S,5R,6R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 186.0±31.6 °C
Index of Refraction: 1.601
Molar Refractivity: 154.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 41909.32
ACD/KOC (pH 5.5): 70832.59
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 41909.32
ACD/KOC (pH 7.4): 70832.59
Polar Surface Area: 65 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 449.7±5.0 cm3

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