ChemSpider 2D Image | (2beta,3alpha,5alpha,16beta)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol | C27H46N2O3

(2β,3α,5α,16β)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol

  • Molecular FormulaC27H46N2O3
  • Average mass446.666 Da
  • Monoisotopic mass446.350830 Da
  • ChemSpider ID23359991

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(2β,3α,5α,16β)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstan-3,17-diol [German] [ACD/IUPAC Name]
(2β,3α,5α,16β)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol [ACD/IUPAC Name]
(2β,3α,5α,16β)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol [French] [ACD/IUPAC Name]
(2β,3α,5α,16β)-2-(Morpholin-4-yl)-16-(pyrrolidin-1-yl)androstane-3,17-diol
Androstane-3,17-diol, 2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, (2β,3α,5α,16β)- [ACD/Index Name]
(2b,3a,5a,16b,17b)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol
(2β,3α,5α,16β,17β)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol [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: 565.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.6±6.0 kJ/mol
Flash Point: 295.7±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 126.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.22
Polar Surface Area: 56 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 383.7±3.0 cm3

Click to predict properties on the Chemicalize site


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