ChemSpider 2D Image | Benzyl [(3aR,4S,6R,6aS)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate | C18H25NO6

Benzyl [(3aR,4S,6R,6aS)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate

  • Molecular FormulaC18H25NO6
  • Average mass351.394 Da
  • Monoisotopic mass351.168182 Da
  • ChemSpider ID44209093

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(3aR,4S,6R,6aS)-6-(2-Hydroxyéthoxy)-2,2-diméthyltétrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(3aR,4S,6R,6aS)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate [ACD/IUPAC Name]
Benzyl-[(3aR,4S,6R,6aS)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3aR,4S,6R,6aS)-tetrahydro-6-(2-hydroxyethoxy)-2,2-dimethyl-4H-cyclopenta[d]-1,3-dioxol-4-yl]-, phenylmethyl ester [ACD/Index Name]
benzyl ((3aR,4S,6R,6aS)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)carbamate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 524.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 271.0±30.1 °C
Index of Refraction: 1.563
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 36.95
ACD/KOC (pH 5.5): 461.00
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 36.94
ACD/KOC (pH 7.4): 460.94
Polar Surface Area: 86 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 278.5±5.0 cm3

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