ChemSpider 2D Image | (3beta,10alpha,14beta,16alpha,17alpha)-16-Methyl-20-oxopregn-5-en-3-yl 3-(4-morpholinyl)propanoate | C29H45NO4

(3β,10α,14β,16α,17α)-16-Methyl-20-oxopregn-5-en-3-yl 3-(4-morpholinyl)propanoate

  • Molecular FormulaC29H45NO4
  • Average mass471.672 Da
  • Monoisotopic mass471.334869 Da
  • ChemSpider ID62297471

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,8α,9β,14β,16α,17α)-16-Methyl-20-oxopregn-5-en-3-yl 3-(4-morpholinyl)propanoate [ACD/IUPAC Name]
(3α,8α,9β,14β,16α,17α)-16-Methyl-20-oxopregn-5-en-3-yl-3-(4-morpholinyl)propanoat [German] [ACD/IUPAC Name]
(3β,10α,14β,16α,17α)-16-Methyl-20-oxopregn-5-en-3-yl 3-(4-morpholinyl)propanoate [ACD/IUPAC Name]
(3β,10α,14β,16α,17α)-16-Methyl-20-oxopregn-5-en-3-yl-3-(4-morpholinyl)propanoat [German] [ACD/IUPAC Name]
3-(4-Morpholinyl)propanoate de (3α,8α,9β,14β,16α,17α)-16-méthyl-20-oxoprégn-5-én-3-yle [French] [ACD/IUPAC Name]
3-(4-Morpholinyl)propanoate de (3β,10α,14β,16α,17α)-16-méthyl-20-oxoprégn-5-én-3-yle [French] [ACD/IUPAC Name]
4-Morpholinepropanoic acid, (3α,8α,9β,14β,16α,17α)-16-methyl-20-oxopregn-5-en-3-yl ester [ACD/Index Name]
4-Morpholinepropanoic acid, (3β,10α,14β,16α,17α)-16-methyl-20-oxopregn-5-en-3-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: 575.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.7±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 133.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 534.10
ACD/KOC (pH 5.5): 1584.07
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5150.55
ACD/KOC (pH 7.4): 15275.83
Polar Surface Area: 56 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 418.9±5.0 cm3

Click to predict properties on the Chemicalize site


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