ChemSpider 2D Image | (3aS,6R,7aS)-2,2-Dimethyl-3'-(4-methylphenyl)dihydro-2'H-spiro[1,3-dioxolo[4,5-c]pyran-6,5'-[1,3]oxazolidine]-2',7(4H)-dione | C17H19NO6

(3aS,6R,7aS)-2,2-Dimethyl-3'-(4-methylphenyl)dihydro-2'H-spiro[1,3-dioxolo[4,5-c]pyran-6,5'-[1,3]oxazolidine]-2',7(4H)-dione

  • Molecular FormulaC17H19NO6
  • Average mass333.336 Da
  • Monoisotopic mass333.121246 Da
  • ChemSpider ID24741013

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aS,6R,7aS)-2,2-Dimethyl-3'-(4-methylphenyl)dihydro-2'H-spiro[1,3-dioxolo[4,5-c]pyran-6,5'-[1,3]oxazolidine]-2',7(4H)-dione [ACD/IUPAC Name]
Spiro[6H-1,3-dioxolo[4,5-c]pyran-6,5'-oxazolidine]-2',7(4H)-dione, dihydro-2,2-dimethyl-3'-(4-methylphenyl)-, (3aS,6R,7aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 498.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.5±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 570.77
ACD/KOC (pH 5.5): 3270.96
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 570.77
ACD/KOC (pH 7.4): 3270.99
Polar Surface Area: 74 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 240.6±5.0 cm3

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