ChemSpider 2D Image | Org 21465 | C28H45NO7S

Org 21465

  • Molecular FormulaC28H45NO7S
  • Average mass539.724 Da
  • Monoisotopic mass539.291687 Da
  • ChemSpider ID8873045

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2β,3α,5α)-2-(2,2-Dimethyl-4-morpholinyl)-3-hydroxy-11,20-dioxopregnan-21-yl methanesulfonate [ACD/IUPAC Name]
(2β,3α,5α)-2-(2,2-Dimethyl-4-morpholinyl)-3-hydroxy-11,20-dioxopregnan-21-yl-methansulfonat [German] [ACD/IUPAC Name]
Méthanesulfonate de (2β,3α,5α)-2-(2,2-diméthyl-4-morpholinyl)-3-hydroxy-11,20-dioxoprégnan-21-yle [French] [ACD/IUPAC Name]
Org 21465
Pregnane-11,20-dione, 2-(2,2-dimethyl-4-morpholinyl)-3-hydroxy-21-[(methylsulfonyl)oxy]-, (2β,3α,5α)- [ACD/Index 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: 669.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 358.7±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 139.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.47
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 18.03
ACD/KOC (pH 7.4): 242.44
Polar Surface Area: 119 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 443.4±3.0 cm3

Click to predict properties on the Chemicalize site


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