ChemSpider 2D Image | (3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyl-5-[(trityloxy)methyl]tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran | C31H34O6

(3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyl-5-[(trityloxy)methyl]tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran

  • Molecular FormulaC31H34O6
  • Average mass502.598 Da
  • Monoisotopic mass502.235535 Da
  • ChemSpider ID9561444

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyl-5-[(trityloxy)methyl]tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran [ACD/IUPAC Name]
(3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyl-5-[(trityloxy)methyl]tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran [German] [ACD/IUPAC Name]
(3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tétraméthyl-5-[(trityloxy)méthyl]tétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyrane [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 576.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 221.2±28.6 °C
Index of Refraction: 1.546
Molar Refractivity: 139.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.76
ACD/LogD (pH 5.5): 8.09
ACD/BCF (pH 5.5): 824331.56
ACD/KOC (pH 5.5): 597468.13
ACD/LogD (pH 7.4): 8.09
ACD/BCF (pH 7.4): 824331.56
ACD/KOC (pH 7.4): 597468.13
Polar Surface Area: 55 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 438.6±3.0 cm3

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