ChemSpider 2D Image | (3beta,16beta,20S)-20-[(5R)-5-Methyl-3-oxo-3,4,5,6-tetrahydro-2-pyridinyl]pregn-5-ene-3,16-diyl diacetate | C31H45NO5

(3β,16β,20S)-20-[(5R)-5-Methyl-3-oxo-3,4,5,6-tetrahydro-2-pyridinyl]pregn-5-ene-3,16-diyl diacetate

  • Molecular FormulaC31H45NO5
  • Average mass511.693 Da
  • Monoisotopic mass511.329773 Da
  • ChemSpider ID9213709

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,16β,20S)-20-[(5R)-5-Methyl-3-oxo-3,4,5,6-tetrahydro-2-pyridinyl]pregn-5-en-3,16-diyl-diacetat [German] [ACD/IUPAC Name]
(3β,16β,20S)-20-[(5R)-5-Methyl-3-oxo-3,4,5,6-tetrahydro-2-pyridinyl]pregn-5-ene-3,16-diyl diacetate [ACD/IUPAC Name]
3(4H)-Pyridinone, 2-[(3β,16β,20S)-3,16-bis(acetyloxy)pregn-5-en-20-yl]-5,6-dihydro-5-methyl-, (5R)- [ACD/Index Name]
Diacétate de (3β,16β,20S)-20-[(5R)-5-méthyl-3-oxo-3,4,5,6-tétrahydro-2-pyridinyl]prégn-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: 1.3±0.1 g/cm3
Boiling Point: 589.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 169.4±27.3 °C
Index of Refraction: 1.616
Molar Refractivity: 141.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5271.27
ACD/KOC (pH 5.5): 15626.37
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5796.52
ACD/KOC (pH 7.4): 17183.45
Polar Surface Area: 82 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 403.5±7.0 cm3

Click to predict properties on the Chemicalize site


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