ChemSpider 2D Image | (1R,2R,3R,7S,8S,9S)-11-Benzyl-2-(benzyloxy)-5,5-dimethyl-4,6,10-trioxa-11-azatricyclo[7.2.1.0~3,7~]dodecan-8-ol | C24H29NO5

(1R,2R,3R,7S,8S,9S)-11-Benzyl-2-(benzyloxy)-5,5-dimethyl-4,6,10-trioxa-11-azatricyclo[7.2.1.03,7]dodecan-8-ol

  • Molecular FormulaC24H29NO5
  • Average mass411.491 Da
  • Monoisotopic mass411.204559 Da
  • ChemSpider ID30651584

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R,2R,3R,7S,8S,9S)-11-Benzyl-2-(benzyloxy)-5,5-dimethyl-4,6,10-trioxa-11-azatricyclo[7.2.1.03,7]dodecan-8-ol [German] [ACD/IUPAC Name]
(1R,2R,3R,7S,8S,9S)-11-Benzyl-2-(benzyloxy)-5,5-dimethyl-4,6,10-trioxa-11-azatricyclo[7.2.1.03,7]dodecan-8-ol [ACD/IUPAC Name]
(1R,2R,3R,7S,8S,9S)-11-Benzyl-2-(benzyloxy)-5,5-diméthyl-4,6,10-trioxa-11-azatricyclo[7.2.1.03,7]dodécan-8-ol [French] [ACD/IUPAC Name]
5,8-Methano-5H-1,3-dioxolo[4,5-e][1,2]oxazocin-4-ol, hexahydro-2,2-dimethyl-9-(phenylmethoxy)-7-(phenylmethyl)-, (3aS,4S,5S,8R,9R,9aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 554.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 289.3±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 380.41
ACD/KOC (pH 5.5): 2446.50
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 380.41
ACD/KOC (pH 7.4): 2446.54
Polar Surface Area: 60 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 321.6±5.0 cm3

Click to predict properties on the Chemicalize site


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