Found 8 results

Search term: MF = 'C_{34}H_{49}NO_{2}'
ChemSpider 2D Image | (1-{(2S)-2-[(3S,10R,13S,17R)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl}-4-piperidinyl)(phenyl)methanone | C34H49NO2

(1-{(2S)-2-[(3S,10R,13S,17R)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl}-4-piperidinyl)(phenyl)methanone

  • Molecular FormulaC34H49NO2
  • Average mass503.758 Da
  • Monoisotopic mass503.376343 Da
  • ChemSpider ID8566849

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(1-{(2S)-2-[(3S,10R,13S,17R)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl}-4-piperidinyl)(phenyl)methanon [German] [ACD/IUPAC Name]
(1-{(2S)-2-[(3S,10R,13S,17R)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl}-4-piperidinyl)(phenyl)methanone [ACD/IUPAC Name]
(1-{(2S)-2-[(3S,10R,13S,17R)-3-Hydroxy-10,13-diméthyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-17-yl]propyl}-4-pipéridinyl)(phényl)méthanone [French] [ACD/IUPAC 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: 616.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 326.8±28.7 °C
Index of Refraction: 1.587
Molar Refractivity: 151.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.30
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 271.33
ACD/KOC (pH 5.5): 299.15
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 9347.74
ACD/KOC (pH 7.4): 10306.06
Polar Surface Area: 41 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 450.3±5.0 cm3

Click to predict properties on the Chemicalize site


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