ChemSpider 2D Image | (2'R,3a'R,4S,7'S,7a'R)-7'-(4-Biphenylylmethoxy)-2,2-dimethyl-2'-[(1E)-4-phenyl-1-buten-1-yl]tetrahydrospiro[1,3-dioxolane-4,6'-[1,3]dioxolo[4,5-c]pyran] | C33H36O6

(2'R,3a'R,4S,7'S,7a'R)-7'-(4-Biphenylylmethoxy)-2,2-dimethyl-2'-[(1E)-4-phenyl-1-buten-1-yl]tetrahydrospiro[1,3-dioxolane-4,6'-[1,3]dioxolo[4,5-c]pyran]

  • Molecular FormulaC33H36O6
  • Average mass528.635 Da
  • Monoisotopic mass528.251160 Da
  • ChemSpider ID8590026
  • 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

(2'R,3a'R,4S,7'S,7a'R)-7'-(4-Biphenylylmethoxy)-2,2-dimethyl-2'-[(1E)-4-phenyl-1-buten-1-yl]tetrahydrospiro[1,3-dioxolane-4,6'-[1,3]dioxolo[4,5-c]pyran] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 633.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 242.8±31.4 °C
Index of Refraction: 1.616
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.09
ACD/LogD (pH 5.5): 7.99
ACD/BCF (pH 5.5): 698308.06
ACD/KOC (pH 5.5): 530565.56
ACD/LogD (pH 7.4): 7.99
ACD/BCF (pH 7.4): 698308.06
ACD/KOC (pH 7.4): 530565.56
Polar Surface Area: 55 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 428.8±5.0 cm3

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