ChemSpider 2D Image | (2R,3S,4S,6R,7R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {4-[(1-methyl-4-piperidinyl)methoxy]phenyl}acetate | C35H51NO5

(2R,3S,4S,6R,7R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl {4-[(1-methyl-4-piperidinyl)methoxy]phenyl}acetate

  • Molecular FormulaC35H51NO5
  • Average mass565.783 Da
  • Monoisotopic mass565.376709 Da
  • ChemSpider ID8113481

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(2R,3S,4S,6R,7R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl {4-[(1-methyl-4-piperidinyl)methoxy]phenyl}acetate [ACD/IUPAC Name]
(2R,3S,4S,6R,7R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl-{4-[(1-methyl-4-piperidinyl)methoxy]phenyl}acetat [German] [ACD/IUPAC Name]
{4-[(1-Méthyl-4-pipéridinyl)méthoxy]phényl}acétate de (2R,3S,4S,6R,7R)-3-hydroxy-2,4,7,14-tétraméthyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tétradéc-6-yle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[(1-methyl-4-piperidinyl)methoxy]-, (4R,5S,6S,8R,9R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 639.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 340.7±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 161.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 33.96
ACD/KOC (pH 5.5): 61.79
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 669.47
ACD/KOC (pH 7.4): 1217.90
Polar Surface Area: 76 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 495.2±5.0 cm3

Click to predict properties on the Chemicalize site


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