ChemSpider 2D Image | (5R,6S)-6-Phenyl-5-(4-{[2-(1-pyrrolidinyl)(~2~H_4_)ethyl]oxy}phenyl)-5,6,7,8-tetrahydro-2-naphthalenol | C28H27D4NO2

(5R,6S)-6-Phenyl-5-(4-{[2-(1-pyrrolidinyl)(2H4)ethyl]oxy}phenyl)-5,6,7,8-tetrahydro-2-naphthalenol

  • Molecular FormulaC28H27D4NO2
  • Average mass417.576 Da
  • Monoisotopic mass417.260590 Da
  • ChemSpider ID48062526

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5R,6S)-6-Phényl-5-(4-{[2-(1-pyrrolidinyl)(2H4)éthyl]oxy}phényl)-5,6,7,8-tétrahydro-2-naphtalénol [French] [ACD/IUPAC Name]
(5R,6S)-6-Phenyl-5-(4-{[2-(1-pyrrolidinyl)(2H4)ethyl]oxy}phenyl)-5,6,7,8-tetrahydro-2-naphthalenol [ACD/IUPAC Name]
(5R,6S)-6-Phenyl-5-(4-{[2-(1-pyrrolidinyl)(2H4)ethyl]oxy}phenyl)-5,6,7,8-tetrahydro-2-naphthalinol [German] [ACD/IUPAC Name]
2-Naphthalenol, 5,6,7,8-tetrahydro-6-phenyl-5-[4-[[2-(1-pyrrolidinyl)ethyl-1,1,2,2-d4]oxy]phenyl]-, (5R,6S)- [ACD/Index Name]
(5R,6S)-6-phenyl-5-[4-(1,1,2,2-tetradeuterio-2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
1126626-61-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 572.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 300.0±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 125.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 24.93
ACD/KOC (pH 5.5): 46.96
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 195.90
ACD/KOC (pH 7.4): 369.00
Polar Surface Area: 33 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 359.4±3.0 cm3

Click to predict properties on the Chemicalize site


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