ChemSpider 2D Image | (1R,2S,5R)-2-{2-[(2S,3R)-3-(Benzyloxy)-2-(3,4-dimethoxyphenyl)-3-phenyl-1-azetidinyl]-2-propanyl}-5-methylcyclohexanol | C34H43NO4

(1R,2S,5R)-2-{2-[(2S,3R)-3-(Benzyloxy)-2-(3,4-dimethoxyphenyl)-3-phenyl-1-azetidinyl]-2-propanyl}-5-methylcyclohexanol

  • Molecular FormulaC34H43NO4
  • Average mass529.709 Da
  • Monoisotopic mass529.319214 Da
  • ChemSpider ID9550914

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,5R)-2-{2-[(2S,3R)-3-(Benzyloxy)-2-(3,4-dimethoxyphenyl)-3-phenyl-1-azetidinyl]-2-propanyl}-5-methylcyclohexanol [ACD/IUPAC Name]
(1R,2S,5R)-2-{2-[(2S,3R)-3-(Benzyloxy)-2-(3,4-dimethoxyphenyl)-3-phenyl-1-azetidinyl]-2-propanyl}-5-methylcyclohexanol [German] [ACD/IUPAC Name]
(1R,2S,5R)-2-{2-[(2S,3R)-3-(Benzyloxy)-2-(3,4-diméthoxyphényl)-3-phényl-1-azétidinyl]-2-propanyl}-5-méthylcyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 2-[1-[(2S,3R)-2-(3,4-dimethoxyphenyl)-3-phenyl-3-(phenylmethoxy)-1-azetidinyl]-1-methylethyl]-5-methyl-, (1R,2S,5R)- [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: 618.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 328.1±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 1584.30
ACD/KOC (pH 5.5): 2118.62
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 53580.97
ACD/KOC (pH 7.4): 71651.78
Polar Surface Area: 51 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 455.5±5.0 cm3

Click to predict properties on the Chemicalize site


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