ChemSpider 2D Image | (11beta,13xi)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl N,N-diethylglycinate | C27H41NO6

(11β,13ξ)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl N,N-diethylglycinate

  • Molecular FormulaC27H41NO6
  • Average mass475.617 Da
  • Monoisotopic mass475.293396 Da
  • ChemSpider ID58817539

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(11β,13ξ)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl N,N-diethylglycinate [ACD/IUPAC Name]
(11β,13ξ)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl-N,N-diethylglycinat [German] [ACD/IUPAC Name]
Glycine, N,N-diethyl-, (11β,13ξ)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl ester [ACD/Index Name]
N,N-Diéthylglycinate de (11β,13ξ)-11,17-dihydroxy-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
76-47-1 [RN]
hidrocortamato
hydrocortamate [INN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 627.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 333.1±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 127.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.91
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 15.02
ACD/KOC (pH 7.4): 147.96
Polar Surface Area: 104 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 390.0±5.0 cm3

Click to predict properties on the Chemicalize site


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