ChemSpider 2D Image | (3aS,7S,7aR)-5-Benzyl-7-(hydroxymethyl)-2,2-dimethylhexahydro[1,3]dioxolo[4,5-c]pyridin-7-ol | C16H23NO4

(3aS,7S,7aR)-5-Benzyl-7-(hydroxymethyl)-2,2-dimethylhexahydro[1,3]dioxolo[4,5-c]pyridin-7-ol

  • Molecular FormulaC16H23NO4
  • Average mass293.358 Da
  • Monoisotopic mass293.162720 Da
  • ChemSpider ID30653426

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aS,7S,7aR)-5-Benzyl-7-(hydroxymethyl)-2,2-dimethylhexahydro[1,3]dioxolo[4,5-c]pyridin-7-ol [German] [ACD/IUPAC Name]
(3aS,7S,7aR)-5-Benzyl-7-(hydroxymethyl)-2,2-dimethylhexahydro[1,3]dioxolo[4,5-c]pyridin-7-ol [ACD/IUPAC Name]
(3aS,7S,7aR)-5-Benzyl-7-(hydroxyméthyl)-2,2-diméthylhexahydro[1,3]dioxolo[4,5-c]pyridin-7-ol [French] [ACD/IUPAC Name]
1,3-Dioxolo[4,5-c]pyridine-7-methanol, hexahydro-7-hydroxy-2,2-dimethyl-5-(phenylmethyl)-, (3aS,7S,7aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 443.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 222.2±28.7 °C
Index of Refraction: 1.557
Molar Refractivity: 78.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.44
ACD/KOC (pH 5.5): 19.75
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 21.85
ACD/KOC (pH 7.4): 298.90
Polar Surface Area: 62 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 244.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement