ChemSpider 2D Image | (3R,6S)-2-Benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-6-phenyl-3,6-dihydro-2H-1,2-oxazine | C23H27NO4

(3R,6S)-2-Benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-6-phenyl-3,6-dihydro-2H-1,2-oxazine

  • Molecular FormulaC23H27NO4
  • Average mass381.465 Da
  • Monoisotopic mass381.194000 Da
  • ChemSpider ID30653900

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,6S)-2-Benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-6-phenyl-3,6-dihydro-2H-1,2-oxazin [German] [ACD/IUPAC Name]
(3R,6S)-2-Benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-6-phenyl-3,6-dihydro-2H-1,2-oxazine [ACD/IUPAC Name]
(3R,6S)-2-Benzyl-3-[(4S)-2,2-diméthyl-1,3-dioxolan-4-yl]-4-méthoxy-6-phényl-3,6-dihydro-2H-1,2-oxazine [French] [ACD/IUPAC Name]
2H-1,2-Oxazine, 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-4-methoxy-6-phenyl-2-(phenylmethyl)-, (3R,6S)- [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: 510.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 143.9±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 108.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 582.96
ACD/KOC (pH 5.5): 3320.83
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 582.96
ACD/KOC (pH 7.4): 3320.84
Polar Surface Area: 40 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 318.3±5.0 cm3

Click to predict properties on the Chemicalize site


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