Found 5 results

Search term: DQCWPGBLFVRMDS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3beta,8xi,9xi,14xi,16beta)-17-{(1S)-1-[(5R)-5-Methyl-3,4,5,6-tetrahydro-2-pyridinyl]ethyl}androst-5-ene-3,16-diyl diacetate | C31H47NO4

(3β,8ξ,9ξ,14ξ,16β)-17-{(1S)-1-[(5R)-5-Methyl-3,4,5,6-tetrahydro-2-pyridinyl]ethyl}androst-5-ene-3,16-diyl diacetate

  • Molecular FormulaC31H47NO4
  • Average mass497.709 Da
  • Monoisotopic mass497.350494 Da
  • ChemSpider ID30650411

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ,16β)-17-{(1S)-1-[(5R)-5-Methyl-3,4,5,6-tetrahydro-2-pyridinyl]ethyl}androst-5-en-3,16-diyl-diacetat [German] [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,16β)-17-{(1S)-1-[(5R)-5-Methyl-3,4,5,6-tetrahydro-2-pyridinyl]ethyl}androst-5-ene-3,16-diyl diacetate [ACD/IUPAC Name]
Androst-5-ene-3,16-diol, 17-[(1S)-1-[(5R)-3,4,5,6-tetrahydro-5-methyl-2-pyridinyl]ethyl]-, diacetate (ester), (3β,8ξ,9ξ,14ξ,16β)- [ACD/Index Name]
Diacétate de (3β,8ξ,9ξ,14ξ,16β)-17-{(1S)-1-[(5R)-5-méthyl-3,4,5,6-tétrahydro-2-pyridinyl]éthyl}androst-5-ène-3,16-diyle [French] [ACD/IUPAC 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: 563.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 154.3±23.2 °C
Index of Refraction: 1.606
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.49
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 6240.50
ACD/KOC (pH 5.5): 5229.09
ACD/LogD (pH 7.4): 7.05
ACD/BCF (pH 7.4): 89994.61
ACD/KOC (pH 7.4): 75408.94
Polar Surface Area: 65 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 406.2±7.0 cm3

Click to predict properties on the Chemicalize site


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